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Ethaneperoxoic acid, 1-cyano-1-phenyloctyl ester
SpectraBase Compound ID 2MyU00kwrMJ
InChI InChI=1S/C17H23NO3/c1-3-4-5-6-10-13-17(14-18,21-20-15(2)19)16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKey MODFHBHOPFVVPW-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0YMxwm0Jaj
Name Ethaneperoxoic acid, 1-cyano-1-phenyloctyl ester
CAS Registry Number 58422-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-4-5-6-10-13-17(14-18,21-20-15(2)19)16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKey MODFHBHOPFVVPW-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES CCCCCCCC(C#N)(c1ccccc1)OOC(C)=O
SPLASH splash10-0ab9-0910000000-1b2c00e092339fdd3386
Source of Spectrum C-99-1538-0
Synonyms 1-Cyano-1-phenyloctyl ethaneperoxoate (1-cyano-1-phenyl-octyl) peroxyacetate peracetic acid (1-cyano-1-phenyl-octyl) ester Ethaneperoxoic acid (1-cyano-1-phenyloctyl) ester (1-cyano-1-phenyloctyl) ethaneperoxoate
Wiley ID 1292746