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2-(3'-cyanopropyl)-1-phenylthiopenta- 1(Z),4-diene
SpectraBase Compound ID BOTDWHWif0I
InChI InChI=1S/C15H17NS/c1-2-8-14(9-6-7-12-16)13-17-15-10-4-3-5-11-15/h2-5,10-11,13H,1,6-9H2/b14-13+
InChIKey GBATVAYVSIGYFA-BUHFOSPRSA-N
Mol Weight 243.37 g/mol
Molecular Formula C15H17NS
Exact Mass 243.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v2AQPpZaGU
Name 2-(3'-cyanopropyl)-1-phenylthiopenta- 1(Z),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NS
InChI InChI=1S/C15H17NS/c1-2-8-14(9-6-7-12-16)13-17-15-10-4-3-5-11-15/h2-5,10-11,13H,1,6-9H2/b14-13+
InChIKey GBATVAYVSIGYFA-BUHFOSPRSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 243.368 g/mol
SMILES c1(ccccc1)S\C=C/(CC=C)CCCC#N
SPLASH splash10-00kf-9610000000-58734ed098f301630a8c
Source of Spectrum A1-9-263/SMS4-4ea
Synonyms (Z)-5-((phenylthio)methylene)oct-7-enenitrile
Wiley ID 1757772