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4-Heptenoic acid, 5-chloro-4-(phenylthio)-, (E)-
SpectraBase Compound ID 6ntR3YipHhy
InChI InChI=1S/C13H15ClO2S/c1-2-11(14)12(8-9-13(15)16)17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16)/b12-11+
InChIKey FKYPUFAAARTUDE-VAWYXSNFSA-N
Mol Weight 270.77 g/mol
Molecular Formula C13H15ClO2S
Exact Mass 270.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHGWULyuSnY
Name 4-Heptenoic acid, 5-chloro-4-(phenylthio)-, (E)-
CAS Registry Number 109573-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO2S
InChI InChI=1S/C13H15ClO2S/c1-2-11(14)12(8-9-13(15)16)17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16)/b12-11+
InChIKey FKYPUFAAARTUDE-VAWYXSNFSA-N
Molecular Weight 270.774 g/mol
SMILES OC(CC\C(Sc1ccccc1)=C\(Cl)CC)=O
SPLASH splash10-0a4i-0940000000-6f8750bc6469e99f87a5
Source of Spectrum KC-1986-2001-4
Synonyms (4E)-5-Chloro-4-(phenylsulfanyl)-4-heptenoic acid (E)-5-Chloro-4-phenylthiohept-4-enoic acid
Wiley ID 1273823