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Methyl 2-cyano-2-phenylthiocyclopropanecarboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 2-cyano-2-phenylthiocyclopropanecarboxylate
SpectraBase Compound ID 4BXEa3mberX
InChI InChI=1S/C12H11NO2S/c1-15-11(14)10-7-12(10,8-13)16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKey ZJYAMJFMXPYXQR-UHFFFAOYSA-N
Mol Weight 233.28 g/mol
Molecular Formula C12H11NO2S
Exact Mass 233.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RNY3oRi3PA
Name Methyl 2-cyano-2-phenylthiocyclopropanecarboxylate
Alternate Name(s) methyl 2-cyano-2-(phenylsulfanyl)cyclopropanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO2S
InChI InChI=1S/C12H11NO2S/c1-15-11(14)10-7-12(10,8-13)16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKey ZJYAMJFMXPYXQR-UHFFFAOYSA-N
Molecular Weight 233.285 g/mol
SMILES C1(C(C(=O)OC)C1)(C#N)Sc1ccccc1
SPLASH splash10-00e9-0950000000-0fe58b941d4dff7fc260
Source of Spectrum QA-41-807-4
Wiley ID 861892