Phenanthro[4,3-b]thiophene

Formula: C₁₆H₁₀S
Molecular weight: 234.316
IUPAC Standard InChI: InChI=1S/C16H10S/c1-2-4-14-11(3-1)5-6-12-7-8-13-9-10-17-16(13)15(12)14/h1-10H
IUPAC Standard InChIKey: HVDXWEZIEYUOMI-UHFFFAOYSA-N
CAS Registry Number: 195-68-6
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: Phenanthro[4,3-a]dibenzothiophene
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
Options:
- Switch to calorie-based units

Gas Chromatography

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	Rxi-5 MS	395.34	Zeigler, Schantz, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min, 340. C @ 0. min
Capillary	HP-5 MS	394.64	zu Reckendorf, 2003	25. m/0.25 mm/0.33 μm, 5. K/min; T_start: 70. C; T_end: 320. C
Capillary	DB-5	395.2	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	395.16	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	395.03	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

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	395.1	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	394.3	Becker and Colmsjö, 1998	30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 25C/min => 160C => 3C/min => 300C(25min)

References

Go To: Top, Gas Chromatography, Notes

Zeigler, Schantz, et al., 2012
Zeigler, C.; Schantz, M.; Wise, S.; Robbat, A., Mass spectra and retention indices for polycyclic aromatic sulfur heterocycles and some alkylated analogs, Polycyclic Aromatic Compounds, 2012, 32, 2, 154-176, https://doi.org/10.1080/10406638.2011.651679 . [all data]

zu Reckendorf, 2003
zu Reckendorf, R.M., Pattern change of several polycyclic aromatic furans and analogous thiophenes on oxidative pyrolysis of pitches in flue gases, and the relevance to their quantitative analysis, Chromatographia, 2003, 58, 1/2, 103-113. [all data]

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]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.