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Acetic acid, (phenylsulfinyl)-, 1-cyano-1-methylethyl ester
SpectraBase Compound ID 5EIJXYZErm9
InChI InChI=1S/C12H13NO3S/c1-12(2,9-13)16-11(14)8-17(15)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey AZJSNERNMJDWTF-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OB8EJ5eu4C
Name Acetic acid, (phenylsulfinyl)-, 1-cyano-1-methylethyl ester
CAS Registry Number 99563-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-12(2,9-13)16-11(14)8-17(15)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey AZJSNERNMJDWTF-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES C(S(=O)c1ccccc1)C(OC(C#N)(C)C)=O
SPLASH splash10-004i-6910000000-08ada7492f81b7f6f1a6
Source of Spectrum AJ-60-2145-7
Synonyms 1-cyano-1-methylethyl (phenylsulfinyl)acetate 2-Methyl-2-[(phenylsulfinyl)acetoxy]propanenitrile
Wiley ID 1254381