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Acetic acid, (phenylthio)-, 1-cyano-1-methylethyl ester
SpectraBase Compound ID AWe5l5SG7Hd
InChI InChI=1S/C12H13NO2S/c1-12(2,9-13)15-11(14)8-16-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey PIVVDHALSXSCKY-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OQuoQZU3sr
Name Acetic acid, (phenylthio)-, 1-cyano-1-methylethyl ester
CAS Registry Number 99563-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-12(2,9-13)15-11(14)8-16-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey PIVVDHALSXSCKY-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C(#N)C(OC(=O)CSc1ccccc1)(C)C
SPLASH splash10-00di-6920000000-3f1914899d3fa3fd6bc5
Source of Spectrum AJ-60-2145-7
Synonyms 1-cyano-1-methylethyl (phenylsulfanyl)acetate 2-Methyl-2-[(phenylthio)acetoxy]propanenitrile
Wiley ID 1236982