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Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester
SpectraBase Compound ID Hot9gzeQqNS
InChI InChI=1S/C20H21NO3/c1-16(18-9-5-3-6-10-18)13-14-20(15-21,24-23-17(2)22)19-11-7-4-8-12-19/h3-12,16H,13-14H2,1-2H3
InChIKey UTWKMHXCAQZNFZ-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J3kkOoUYTw
Name Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester
Alternate Name(s) 1-Cyano-1,4-diphenylpentyl ethaneperoxoate (1-cyano-1,4-diphenyl-pentyl) peroxyacetate peracetic acid (1-cyano-1,4-diphenyl-pentyl) ester Ethaneperoxoic acid (1-cyano-1,4-diphenylpentyl) ester (1-cyano-1,4-diphenylpentyl) ethaneperoxoate
CAS Registry Number 58422-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-16(18-9-5-3-6-10-18)13-14-20(15-21,24-23-17(2)22)19-11-7-4-8-12-19/h3-12,16H,13-14H2,1-2H3
InChIKey UTWKMHXCAQZNFZ-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES CC(CCC(C#N)(c1ccccc1)OOC(C)=O)c1ccccc1
SPLASH splash10-0ab9-0900000000-127a0121ba7052e9291a
Source of Spectrum C-99-1540-0
Wiley ID 1322568