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Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester
SpectraBase Compound ID G5jQG3oP4W0
InChI InChI=1S/C12H13NO3/c1-9-6-4-5-7-11(9)12(3,8-13)16-15-10(2)14/h4-7H,1-3H3
InChIKey FFROOMNADSGFIK-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 ALauU0udxNS
Name Ethaneperoxoic acid, 1-cyano-1-(2-methylphenyl)ethyl ester
CAS Registry Number 58422-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-9-6-4-5-7-11(9)12(3,8-13)16-15-10(2)14/h4-7H,1-3H3
InChIKey FFROOMNADSGFIK-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES Cc1ccccc1C(C)(C#N)OOC(C)=O
SPLASH splash10-001i-0900000000-38e5b0400ef8af3b7351
Source of Spectrum C-99-1539-0
Synonyms 1-Cyano-1-(2-methylphenyl)ethyl ethaneperoxoate Ethaneperoxoic acid [1-cyano-1-(2-methylphenyl)ethyl] ester [1-cyano-1-(o-tolyl)ethyl] peroxyacetate [1-cyano-1-(2-methylphenyl)ethyl] ethaneperoxoate
Wiley ID 1218802