1-Butene, 4-isothiocyanato-
- Formula: C5H7NS
- Molecular weight: 113.181
- IUPAC Standard InChI: InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
- IUPAC Standard InChIKey: SKIHGKNFJKJXPX-UHFFFAOYSA-N
- CAS Registry Number: 3386-97-8
- 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: Isothiocyanic acid, 3-butenyl ester; 3-Butenyl isothiocyanate; But-3-enyl isothiocyanate; 4-Isothiocyanatobut-1-ene; 4-Isothiocyanato-1-butene; 1-butene 4-isothiocyanate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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 |
|---|---|---|
| Active phase | Mega 5MS | HP-5MS |
| Column length (m) | 60. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 240. | 275. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 985. | 1006. |
| Reference | Condurso, Verzera, et al., 2006 | Afsharypuor and Suleimany, 2002 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Afsharypuor and Suleimany, 2002
Afsharypuor, S.; Suleimany, M.,
Volatile oil constituents of Brassica oleracea var. gongylodes seeds,
J. Essent. Oil Res., 2002, 14, 1, 18-19, https://doi.org/10.1080/10412905.2002.9699748
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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