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Ethaneperoxoic acid, 1-cyano-4,4-dimethyl-1-phenylpentyl ester
SpectraBase Compound ID 4gIYzvY6eNw
InChI InChI=1S/C16H21NO3/c1-13(18)19-20-16(12-17,11-10-15(2,3)4)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3
InChIKey ZKSWJCZLGYBLEQ-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZICfoWcY9y
Name Ethaneperoxoic acid, 1-cyano-4,4-dimethyl-1-phenylpentyl ester
Alternate Name(s) 1-Cyano-4,4-dimethyl-1-phenylpentyl ethaneperoxoate (1-cyano-4,4-dimethyl-1-phenyl-pentyl) peroxyacetate peracetic acid (1-cyano-4,4-dimethyl-1-phenyl-pentyl) ester Ethaneperoxoic acid (1-cyano-4,4-dimethyl-1-phenylpentyl) ester (1-cyano-4,4-dimethyl-1-phenylpentyl) ethaneperoxoate
CAS Registry Number 58422-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-13(18)19-20-16(12-17,11-10-15(2,3)4)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3
InChIKey ZKSWJCZLGYBLEQ-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES CC(=O)OOC(CCC(C)(C)C)(C#N)c1ccccc1
SPLASH splash10-0a4i-0900000000-7068aee9e0cb3e4195c0
Source of Spectrum C-99-1540-0
Wiley ID 1279155