5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid

SpectraBase Compound ID	4DY9zrT4oVm
InChI	InChI=1S/C14H18O2S/c15-14(16)10-4-5-11-17-12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2,(H,15,16)/b9-6+
InChIKey	ZMGWNVPFLNWJJW-RMKNXTFCSA-N Google Search
Mol Weight	250.36 g/mol
Molecular Formula	C14H18O2S
Exact Mass	250.102751 g/mol

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SpectraBase Spectrum ID	FqkoTzCFRg4
Name	5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid
Alternate Name(s)	5-[(E)-cinnamyl]sulfanylpentanoic acid 5-[[(E)-3-phenylprop-2-enyl]thio]pentanoic acid 5-[[(E)-cinnamyl]thio]valeric acid
CAS Registry Number	131327-85-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H18O2S
InChI	InChI=1S/C14H18O2S/c15-14(16)10-4-5-11-17-12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2,(H,15,16)/b9-6+
InChIKey	ZMGWNVPFLNWJJW-RMKNXTFCSA-N
Molecular Weight	250.356 g/mol
SMILES	OC(=O)CCCCSC\C=C\c1ccccc1
SPLASH	splash10-014i-0910000000-9d78c26ceef160ad70cc
Source of Spectrum	F-46-6517-0
Wiley ID	1253218