Benzo[2,3]phenanthro[4,5-bcd]thiophene

Formula: C₁₈H₁₀S
Molecular weight: 258.337
IUPAC Standard InChI: InChI=1S/C18H10S/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)19-15/h1-10H
IUPAC Standard InChIKey: SVXCMFMVRIKHHD-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Benzo[b]phenanthro[4,5-bcd]thiophene
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	443.3	Becker and Colmsjö, 1998	30. m/0.25 mm/0.25 μm, He, 110. C @ 1. min, 10. K/min, 325. C @ 5. min
Capillary	SE-52	443.74	Kong, Lee, et al., 1982	H2, 8. K/min; Column length: 19.6 m; Column diameter: 0.32 mm; T_start: 40. C; T_end: 280. C
Capillary	SE-52	443.29	Vassilaros, Kong, et al., 1982	20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; T_end: 265. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	436.0	Becker, Colmsjo, et al., 1999	50. m/0.32 mm/0.50 μm, Helium; Program: not specified
Capillary	DB-5	434.7	Becker and Colmsjö, 1998	30. m/0.25 mm/0.25 μm, He; Program: 110C(1min) => 40C/min => 160C => 10C/min => 300C925min)
Capillary	DB-5	435.6	Becker and Colmsjö, 1998	30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 25C/min => 160C => 3C/min => 300C(25min)
Capillary	HP-5	436.0	Becker, Nilsson, et al., 1998	50. m/0.32 mm/0.5 μm, He; Program: 35C => 25C/min => 160C => 3C/min => 300C(50min)

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Becker and Colmsjö, 1998
Becker, G.; Colmsjö, A., Gas chromatography-atomic emission detection for quantification of polycyclic aromatic sulfur heterocycles, Anal. Chim. Acta., 1998, 376, 3, 265-272, https://doi.org/10.1016/S0003-2670(98)00546-7 . [all data]

Kong, Lee, et al., 1982
Kong, R.C.; Lee, M.L.; Tominaga, Y.; Pratap, R.; Iwao, M.; Castle, R.N.; Wise, S.A., Capillary Column Gas Chromatographic Resolution of Isomeric Polycylic Aromatic Sulfur Heterocycles in a Coal Liquid, J. Chromatogr. Sci., 1982, 20, 11, 502-510, https://doi.org/10.1093/chromsci/20.11.502 . [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]

Becker, Colmsjo, et al., 1999
Becker, G.; Colmsjo, A.; Ostman, C., Determination of Thiaarenes and Polycyclic Aromatic Hydrocarbons in Workplace Air of an Aluminium Reduction Plant, Environ. Sci. Technol., 1999, 33, 9, 1321-1327, https://doi.org/10.1021/es981151t . [all data]

Becker, Nilsson, et al., 1998
Becker, G.; Nilsson, U.; Colmsjö, A.; Östman, C., Determination of polycyclic aromatic sulfur heterocyclic compounds in airborne particulate by gas chromatography with atomic emission and mass spectrometric detection, J. Chromatogr. A, 1998, 826, 1, 57-66, https://doi.org/10.1016/S0021-9673(98)00729-8 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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