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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
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XRrHz9G2Dx
Name 3-Cyclopentene-1-carboxylic acid, 2-[1-(phenylthio)-1-butenyl]-, cis-(.+-.)-
Alternate Name(s) 2-[(1E)-1-(phenylsulfanyl)-1-butenyl]-3-cyclopentene-1-carboxylic acid 2-[1-(phenylthio)buten-1-yl]-3-cyclopentenecarboxylic acid
CAS Registry Number 92901-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 274.378 g/mol
SMILES OC(C1C(\C(Sc2ccccc2)=C/CC)C=CC1)=O
SPLASH splash10-014l-5930000000-566bcf849a3c87874592
Source of Spectrum J-49-4669-0
Wiley ID 1278167