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Ethaneperoxoic acid, 1-cyano-2-methyl-1-phenylpropyl ester
SpectraBase Compound ID FIsexrHsL42
InChI InChI=1S/C13H15NO3/c1-10(2)13(9-14,17-16-11(3)15)12-7-5-4-6-8-12/h4-8,10H,1-3H3
InChIKey HMIKRYJZDKEUNR-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wGM8gK74pa
Name Ethaneperoxoic acid, 1-cyano-2-methyl-1-phenylpropyl ester
Alternate Name(s) 1-Cyano-2-methyl-1-phenylpropyl ethaneperoxoate (1-cyano-2-methyl-1-phenyl-propyl) peroxyacetate peracetic acid (1-cyano-2-methyl-1-phenyl-propyl) ester Ethaneperoxoic acid (1-cyano-2-methyl-1-phenylpropyl) ester (1-cyano-2-methyl-1-phenylpropyl) ethaneperoxoate
CAS Registry Number 58422-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-10(2)13(9-14,17-16-11(3)15)12-7-5-4-6-8-12/h4-8,10H,1-3H3
InChIKey HMIKRYJZDKEUNR-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES CC(C)C(C#N)(c1ccccc1)OOC(C)=O
SPLASH splash10-0a4i-0900000000-c9ad15c6c1cc088311af
Source of Spectrum C-99-1539-0
Wiley ID 1234865