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Ethaneperoxoic acid, 1-cyano-1-phenylpropyl ester
SpectraBase Compound ID Az62mgWZNUY
InChI InChI=1S/C12H13NO3/c1-3-12(9-13,16-15-10(2)14)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3
InChIKey PKYISRLYWKMDOE-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 7LA4fquA6Hv
Name Ethaneperoxoic acid, 1-cyano-1-phenylpropyl ester
Alternate Name(s) 1-Cyano-1-phenylpropyl ethaneperoxoate (1-cyano-1-phenyl-propyl) peroxyacetate peracetic acid (1-cyano-1-phenyl-propyl) ester Ethaneperoxoic acid (1-cyano-1-phenylpropyl) ester (1-cyano-1-phenylpropyl) ethaneperoxoate
CAS Registry Number 58422-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-3-12(9-13,16-15-10(2)14)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3
InChIKey PKYISRLYWKMDOE-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES CCC(C#N)(c1ccccc1)OOC(C)=O
SPLASH splash10-0a5d-0900000000-8b62560a27bb496f4938
Source of Spectrum C-99-1539-0
Wiley ID 1218799