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Ethaneperoxoic acid, 1-cyano-1-methyl-2-phenylethyl ester
SpectraBase Compound ID 28NM5Qx9t9e
InChI InChI=1S/C12H13NO3/c1-10(14)15-16-12(2,9-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey HNZQNJSMPILNOE-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Arz8NaaT8aM
Name Ethaneperoxoic acid, 1-cyano-1-methyl-2-phenylethyl ester
Alternate Name(s) Ethaneperoxoic acid (2-cyano-1-phenylpropan-2-yl) ester (2-cyano-1-phenylpropan-2-yl) ethaneperoxoate (1-cyano-1-methyl-2-phenyl-ethyl) peroxyacetate (2-cyano-1-phenyl-propan-2-yl) ethaneperoxoate
CAS Registry Number 58422-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-10(14)15-16-12(2,9-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey HNZQNJSMPILNOE-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES C(#N)C(OOC(=O)C)(Cc1ccccc1)C
SPLASH splash10-0006-9200000000-3159ecbef501e1769281
Source of Spectrum C-99-1539-0
Wiley ID 1218800