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Cyclopropanecarboxylic acid, 1-methyl-2-(phenylthio)-, methyl ester, trans-
SpectraBase Compound ID JEb1uiwqiPc
InChI InChI=1S/C12H14O2S/c1-12(11(13)14-2)8-10(12)15-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-,12-/m1/s1
InChIKey NBGKABROTQFCNO-ZYHUDNBSSA-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 CxurFbK8dWh
Name Cyclopropanecarboxylic acid, 1-methyl-2-(phenylthio)-, methyl ester, trans-
CAS Registry Number 100045-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-12(11(13)14-2)8-10(12)15-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-,12-/m1/s1
InChIKey NBGKABROTQFCNO-ZYHUDNBSSA-N
Molecular Weight 222.302 g/mol
SMILES [C@]1([C@](Sc2ccccc2)(C1)[H])(C(=O)OC)C
SPLASH splash10-03k9-0930000000-fd49dcc580b762e2029c
Source of Spectrum J-51-610-0
Synonyms Methyl (1S,2R)-1-methyl-2-(phenylsulfanyl)cyclopropanecarboxylate Methyl t-2-(phenylthio)-1-methyl-r-1-cyclopropanecarboxylate
Wiley ID 1222132