3-Cyclopentene-1-carboxylic acid, 2-[1-(phenylthio)-1-butenyl]-, cis-(.+-.)-

SpectraBase Compound ID	GLpfgzaUo5
InChI	InChI=1S/C16H18O2S/c1-2-7-15(19-12-8-4-3-5-9-12)13-10-6-11-14(13)16(17)18/h3-10,13-14H,2,11H2,1H3,(H,17,18)/b15-7+
InChIKey	UAAHCMVCWOZBAX-VIZOYTHASA-N Google Search
Mol Weight	274.38 g/mol
Molecular Formula	C16H18O2S
Exact Mass	274.102751 g/mol

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SpectraBase Spectrum ID	4X0BJwdpGHT
Name	3-Cyclopentene-1-carboxylic acid, 2-[1-(phenylthio)-1-butenyl]-, cis-(.+-.)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	274.102750992 u
Formula	C16H18O2S
InChI	InChI=1S/C16H18O2S/c1-2-7-15(19-12-8-4-3-5-9-12)13-10-6-11-14(13)16(17)18/h3-10,13-14H,2,11H2,1H3,(H,17,18)/b15-7+
InChIKey	UAAHCMVCWOZBAX-VIZOYTHASA-N
SMILES	C1(\C(SC2=CC=CC=C2)=C/CC)C(C(=O)O)CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.96394