Benzothiazole
- Formula: C7H5NS
- Molecular weight: 135.186
- IUPAC Standard InChIKey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
- CAS Registry Number: 95-16-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzosulfonazole; Vangard BT; 1-Thia-3-azaindene; o-2857; USAF ek-4812; Benzothiazol; 1,3-Benzothiazole
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Normal alkane RI, polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | EC-1000 | DB-Wax | DB-Wax | Supelcowax-10 | Innowax FSC |
Column length (m) | 30. | 30. | 30. | 60. | |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
I | 1955. | 1937. | 1956. | 1915. | 1996. |
Reference | Delabre and Bendall, 9999 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | de Simon, Estruelas, et al., 2009 | Baser K.H.C., Ozek G., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Innowax FSC | Innowax | CP-Wax 52 CB |
Column length (m) | 60. | 60. | 30. |
Carrier gas | He | H2 | |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C |
I | 1984. | 1984. | 1995. |
Reference | Saglam, Gozler, et al., 2001 | Baser, Kürkcüoglu, et al., 1998 | Carro Marino, López Tamames, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A.,
Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation,
Flavour Fragr. J., 2006, 21, 3, 568-570, https://doi.org/10.1002/ffj.1620
. [all data]
Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815
. [all data]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [all data]
Carro Marino, López Tamames, et al., 1995
Carro Marino, N.; López Tamames, E.; García Jares, C.M.,
Contribution to the study of the aromatic potential of three muscat Vitis vinifera varieties: identification of new compounds,
Food Sci. Technol. Int., 1995, 1, 2-3, 105-116, https://doi.org/10.1177/108201329500100206
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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