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[2-(Phenylthiomethyl)cyclopropyl]acetic acid
SpectraBase Compound ID 72np23cA1Ex
InChI InChI=1S/C12H14O2S/c13-12(14)7-9-6-10(9)8-15-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,13,14)
InChIKey ZAXZFYJJSIXCDS-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QG16odR5Rd
Name [2-(Phenylthiomethyl)cyclopropyl]acetic acid
Alternate Name(s) {2-[(phenylsulfanyl)methyl]cyclopropyl}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c13-12(14)7-9-6-10(9)8-15-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,13,14)
InChIKey ZAXZFYJJSIXCDS-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES OC(CC1C(C1)CSc1ccccc1)=O
SPLASH splash10-0229-1940000000-2d9e533d818a0624f79d
Source of Spectrum U1-1998-1540-16
Wiley ID 751642