For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Methyl-N-(8-oxidanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)benzenesulfonamide
SpectraBase Compound ID C6wymJclsE7
InChI InChI=1S/C27H23NO3S/c1-16-5-10-20(11-6-16)32(30,31)28-27-23-15-19-8-7-17-3-2-4-18-9-12-22(26(19)25(17)18)21(23)13-14-24(27)29/h2-12,15,24,27-29H,13-14H2,1H3
InChIKey UHMNDPBHFQGYCM-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C27H23NO3S
Exact Mass 441.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2KiXtBSk0hn
Name 4-Methyl-N-(8-oxidanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)benzenesulfonamide
CAS Registry Number 89817-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO3S
InChI InChI=1S/C27H23NO3S/c1-16-5-10-20(11-6-16)32(30,31)28-27-23-15-19-8-7-17-3-2-4-18-9-12-22(26(19)25(17)18)21(23)13-14-24(27)29/h2-12,15,24,27-29H,13-14H2,1H3
InChIKey UHMNDPBHFQGYCM-UHFFFAOYSA-N
Molecular Weight 441.545 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C1C(CCc2c1cc1c3c4c(ccc23)cccc4cc1)O
SPLASH splash10-006x-2190000000-dbd56763f60fba832592
Source of Spectrum Y-20-1464-0
Synonyms N-(8-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)-4-methyl-benzenesulfonamide
Wiley ID 1385109