Benzo[b]thiophene, 2-methyl-
- Formula: C9H8S
- Molecular weight: 148.225
- IUPAC Standard InChI: InChI=1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
- IUPAC Standard InChIKey: BLZKSRBAQDZAIX-UHFFFAOYSA-N
- CAS Registry Number: 1195-14-8
- 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: 2-Methyl-1-thiaindene; 2-Methylbenzothiophene; 2-Methylbenzo(b)thiophene; 2-Methylthianaphthene; 2-Methylthioindene; Benzothiophene, 2-methyl
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249903 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 220.45 | Williams and Bottrill, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
| Capillary | OV-73 | 221.0 | Arpino, Ignatiadis, et al., 1987 | 68. m/0.28 mm/0.15 μm, 1.5 K/min |
| Capillary | SE-52 | 220.76 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
| Capillary | SE-52 | 218.74 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 213.78 | Thuss, Popp, et al., 2000 | 60. m/0.32 mm/0.10 μm, He; Program: A: 105 0C (2 min) 2.5 0C -> 230 0C 50 0C/min -> 305 0C (15 min) B: 95 0C (2 min) 3.8 0C/min -> 310 0C (5 min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Williams and Bottrill, 1995
Williams, P.T.; Bottrill, R.P.,
Sulfur-polycyclic aromatic hydrocarbons in tyre pyrolysis oil,
Fuel, 1995, 74, 5, 736-742, https://doi.org/10.1016/0016-2361(94)00005-C
. [all data]
Arpino, Ignatiadis, et al., 1987
Arpino, P.J.; Ignatiadis, I.; de Rycke, G.,
Sulphur-containing polynuclear aromatic hydrocarbons from petroleum. Examination of their possible statistical formation in sediments,
J. Chromatogr., 1987, 390, 2, 329-348, https://doi.org/10.1016/S0021-9673(01)94385-7
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Thuss, Popp, et al., 2000
Thuss, U.; Popp, P.; Ehrlich, C.; Kalkoff, W.-D.,
Identification and quantification of thaarenes in the flue gas of lignite-fired domestic heating,
J. Hi. Res. Chromatogr., 2000, 23, 7/8, 457-473, https://doi.org/10.1002/1521-4168(20000801)23:7/8<457::AID-JHRC457>3.0.CO;2-7
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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