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

*Links on SpectraBase are not permalinks.
3-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indole
SpectraBase Compound ID 8AZdAgxpYrk
InChI InChI=1S/C25H29NO2S/c1-4-5-10-20(2)11-6-7-12-22-19-26(25-14-9-8-13-24(22)25)29(27,28)23-17-15-21(3)16-18-23/h6-9,13-19H,2,4-5,10-12H2,1,3H3/b7-6-
InChIKey NIAIHPWABQTCJX-SREVYHEPSA-N
Mol Weight 407.57 g/mol
Molecular Formula C25H29NO2S
Exact Mass 407.1919 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 4Z6jP3MAmPk
Name 3-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indole
Alternate Name(s) (Z)-3-(5-methylenenon-2-en-1-yl)-1-tosyl-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO2S
InChI InChI=1S/C25H29NO2S/c1-4-5-10-20(2)11-6-7-12-22-19-26(25-14-9-8-13-24(22)25)29(27,28)23-17-15-21(3)16-18-23/h6-9,13-19H,2,4-5,10-12H2,1,3H3/b7-6-
InChIKey NIAIHPWABQTCJX-SREVYHEPSA-N
Literature Reference DOI 10.1021/ol901064p
Molecular Weight 407.572 g/mol
SMILES c1(c2c([n](S(c3ccc(cc3)C)(=O)=O)c1)cccc2)C\C=C/CC(=C)CCCC
SPLASH splash10-00di-0690200000-08fc0403740c61ffb003
Source of Spectrum A1-11-3322/SMS6-5j
Wiley ID 1756961