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

*Links on SpectraBase are not permalinks.
(.alpha..xi.)-.alpha.-Butyl-..alpha.-[(1.xi.)-1-[(.xi.)-2-methylenecyclopentyl]ethyl]-1-(phenylsulfonyl)-1H-pyrrole-3-methanol
SpectraBase Compound ID H9pPxXM9nQ6
InChI InChI=1S/C23H31NO3S/c1-4-5-15-23(25,19(3)22-13-9-10-18(22)2)20-14-16-24(17-20)28(26,27)21-11-7-6-8-12-21/h6-8,11-12,14,16-17,19,22,25H,2,4-5,9-10,13,15H2,1,3H3
InChIKey SFTHAMSUWQVODK-UHFFFAOYSA-N
Mol Weight 401.57 g/mol
Molecular Formula C23H31NO3S
Exact Mass 401.202465 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 IXEJFsYOvBc
Name (.alpha..xi.)-.alpha.-Butyl-..alpha.-[(1.xi.)-1-[(.xi.)-2-methylenecyclopentyl]ethyl]-1-(phenylsulfonyl)-1H-pyrrole-3-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO3S
InChI InChI=1S/C23H31NO3S/c1-4-5-15-23(25,19(3)22-13-9-10-18(22)2)20-14-16-24(17-20)28(26,27)21-11-7-6-8-12-21/h6-8,11-12,14,16-17,19,22,25H,2,4-5,9-10,13,15H2,1,3H3
InChIKey SFTHAMSUWQVODK-UHFFFAOYSA-N
Molecular Weight 401.565 g/mol
SMILES OC(c1c[n](S(=O)(=O)c2ccccc2)cc1)(C(C1C(=C)CCC1)C)CCCC
SPLASH splash10-0a73-9140000000-d1aaf7a4c00e1631d321
Source of Spectrum E1-42-850-18
Synonyms 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(2-methylenecyclopentyl)-3-heptanol 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylidenecyclopentyl)heptan-3-ol 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylenecyclopentyl)heptan-3-ol 2-(2-Methylidenecyclopentyl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]heptan-3-ol
Wiley ID 1552489