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Ethaneperoxoic acid, 1-cyano-2-phenyl-1-(phenylmethyl)ethyl ester
SpectraBase Compound ID I3PrXwJJTXO
InChI InChI=1S/C18H17NO3/c1-15(20)21-22-18(14-19,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11H,12-13H2,1H3
InChIKey HXYJMXUGHNLYFM-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oI9djJ5ONh
Name Ethaneperoxoic acid, 1-cyano-2-phenyl-1-(phenylmethyl)ethyl ester
Alternate Name(s) Ethaneperoxoic acid (2-cyano-1,3-diphenylpropan-2-yl) ester (2-cyano-1,3-diphenylpropan-2-yl) ethaneperoxoate (1-benzyl-1-cyano-2-phenyl-ethyl) peroxyacetate (2-cyano-1,3-diphenyl-propan-2-yl) ethaneperoxoate
CAS Registry Number 58422-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-15(20)21-22-18(14-19,12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11H,12-13H2,1H3
InChIKey HXYJMXUGHNLYFM-UHFFFAOYSA-N
Molecular Weight 295.338 g/mol
SMILES C(C#N)(OOC(=O)C)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0zfr-2900000000-288576e88dda8988fdb0
Source of Spectrum C-99-1539-0
Wiley ID 1298288