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1-[4-[(E)-styryl]phenyl]sulfanylheptan-4-ol
SpectraBase Compound ID AveW26Xopw5
InChI InChI=1S/C21H26OS/c1-2-7-20(22)10-6-17-23-21-15-13-19(14-16-21)12-11-18-8-4-3-5-9-18/h3-5,8-9,11-16,20,22H,2,6-7,10,17H2,1H3/b12-11+
InChIKey WEVIZUFIASMMGA-VAWYXSNFSA-N
Mol Weight 326.5 g/mol
Molecular Formula C21H26OS
Exact Mass 326.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VAvbLZuItl
Name 1-[4-[(E)-styryl]phenyl]sulfanylheptan-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26OS
InChI InChI=1S/C21H26OS/c1-2-7-20(22)10-6-17-23-21-15-13-19(14-16-21)12-11-18-8-4-3-5-9-18/h3-5,8-9,11-16,20,22H,2,6-7,10,17H2,1H3/b12-11+
InChIKey WEVIZUFIASMMGA-VAWYXSNFSA-N
Literature Reference DOI 10.1002/rcm.1919
Molecular Weight 326.498 g/mol
SMILES OC(CCCSc1ccc(\C=C\c2ccccc2)cc1)CCC
SPLASH splash10-004i-0869000000-cc2d76f6cc6dbbc00972
Source of Spectrum RCM-19-1357-14
Synonyms (E)-1-((4-styrylphenyl)thio)heptan-4-ol
Wiley ID 1820134