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Ethaneperoxoic acid, 1-cyanocyclohexyl ester
SpectraBase Compound ID H83WAa9SJz6
InChI InChI=1S/C9H13NO3/c1-8(11)12-13-9(7-10)5-3-2-4-6-9/h2-6H2,1H3
InChIKey YVKACKWIDPBYTF-UHFFFAOYSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C3i7rU4SRD
Name Ethaneperoxoic acid, 1-cyanocyclohexyl ester
Alternate Name(s) ethaneperoxoic acid (1-cyanocyclohexyl) ester (1-cyanocyclohexyl) peroxyacetate (1-cyanocyclohexyl) ethaneperoxoate
CAS Registry Number 58422-69-8
Comments Less than 3 mono-isotopic peaks
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Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-8(11)12-13-9(7-10)5-3-2-4-6-9/h2-6H2,1H3
InChIKey YVKACKWIDPBYTF-UHFFFAOYSA-N
Molecular Weight 183.207 g/mol
SMILES C(#N)C1(OOC(=O)C)CCCCC1
SPLASH splash10-0a4i-0900000000-98bc2caaaa6d13e855cf
Source of Spectrum C-99-1539-0
Wiley ID 1179633