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2-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole
SpectraBase Compound ID KoJ5DkgDOIx
InChI InChI=1S/C21H27NO2S/c1-4-5-9-18(2)10-6-7-11-20-12-8-17-22(20)25(23,24)21-15-13-19(3)14-16-21/h6-8,12-17H,2,4-5,9-11H2,1,3H3/b7-6-
InChIKey RIIZGWZCYREPKC-SREVYHEPSA-N
Mol Weight 357.51 g/mol
Molecular Formula C21H27NO2S
Exact Mass 357.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GI9fNt8sCNu
Name 2-[(2Z)-5-Butylhexa-2,5-dien-1-yl]-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole
Alternate Name(s) (Z)-2-(5-methylenenon-2-en-1-yl)-1-tosyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO2S
InChI InChI=1S/C21H27NO2S/c1-4-5-9-18(2)10-6-7-11-20-12-8-17-22(20)25(23,24)21-15-13-19(3)14-16-21/h6-8,12-17H,2,4-5,9-11H2,1,3H3/b7-6-
InChIKey RIIZGWZCYREPKC-SREVYHEPSA-N
Literature Reference DOI 10.1021/ol901064p
Molecular Weight 357.512 g/mol
SMILES c1([n](ccc1)S(c1ccc(cc1)C)(=O)=O)C\C=C/CC(CCCC)=C
SPLASH splash10-0596-4953000000-c76071b13a609e663fb4
Source of Spectrum A1-11-3322/SMS5-5i
Wiley ID 1756960