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Ethaneperoxoic acid, 1-cyano-3-cyclohexyl-1-methylpropyl ester
SpectraBase Compound ID G75gRjPRydU
InChI InChI=1S/C13H21NO3/c1-11(15)16-17-13(2,10-14)9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKey CLBTVOUGQOUGFT-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pd2tKlsN4
Name Ethaneperoxoic acid, 1-cyano-3-cyclohexyl-1-methylpropyl ester
Alternate Name(s) Ethaneperoxoic acid (2-cyano-4-cyclohexylbutan-2-yl) ester (2-cyano-4-cyclohexylbutan-2-yl) ethaneperoxoate (1-cyano-3-cyclohexyl-1-methyl-propyl) peroxyacetate (2-cyano-4-cyclohexyl-butan-2-yl) ethaneperoxoate
CAS Registry Number 58422-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-11(15)16-17-13(2,10-14)9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKey CLBTVOUGQOUGFT-UHFFFAOYSA-N
Molecular Weight 239.315 g/mol
SMILES C(#N)C(OOC(=O)C)(CCC1CCCCC1)C
SPLASH splash10-000i-0900000000-476f4e0e794889b21627
Source of Spectrum W5-20685-0-0
Wiley ID 1241914