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Ethaneperoxoic acid, 1-cyano-4-methyl-1-phenylpentyl ester
SpectraBase Compound ID BCTesSQUCEw
InChI InChI=1S/C15H19NO3/c1-12(2)9-10-15(11-16,19-18-13(3)17)14-7-5-4-6-8-14/h4-8,12H,9-10H2,1-3H3
InChIKey MRQIGMMPVWYNJC-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DuPLMP0NE5
Name Ethaneperoxoic acid, 1-cyano-4-methyl-1-phenylpentyl ester
CAS Registry Number 58422-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-12(2)9-10-15(11-16,19-18-13(3)17)14-7-5-4-6-8-14/h4-8,12H,9-10H2,1-3H3
InChIKey MRQIGMMPVWYNJC-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES CC(C)CCC(C#N)(c1ccccc1)OOC(C)=O
SPLASH splash10-0ab9-0900000000-9b34898a62b02e6460fe
Source of Spectrum C-99-1539-0
Synonyms 1-Cyano-4-methyl-1-phenylpentyl ethaneperoxoate (1-cyano-4-methyl-1-phenyl-pentyl) peroxyacetate peracetic acid (1-cyano-4-methyl-1-phenyl-pentyl) ester Ethaneperoxoic acid (1-cyano-4-methyl-1-phenylpentyl) ester (1-cyano-4-methyl-1-phenylpentyl) ethaneperoxoate
Wiley ID 1264803