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Ethaneperoxoic acid, 1-cyano-1-(phenylmethyl)pentyl ester
SpectraBase Compound ID 40ZkXm8b8A6
InChI InChI=1S/C15H19NO3/c1-3-4-10-15(12-16,19-18-13(2)17)11-14-8-6-5-7-9-14/h5-9H,3-4,10-11H2,1-2H3
InChIKey XYHBGRPZSVOJST-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 5HK1bqA2wmg
Name Ethaneperoxoic acid, 1-cyano-1-(phenylmethyl)pentyl ester
CAS Registry Number 62623-60-3
Comments Less than 3 mono-isotopic peaks
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Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-3-4-10-15(12-16,19-18-13(2)17)11-14-8-6-5-7-9-14/h5-9H,3-4,10-11H2,1-2H3
InChIKey XYHBGRPZSVOJST-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES C(#N)C(OOC(=O)C)(Cc1ccccc1)CCCC
SPLASH splash10-0006-9000000000-5dd3a5ba71d03d219c93
Source of Spectrum C-99-1539-0
Synonyms ethaneperoxoic acid (2-cyano-1-phenylhexan-2-yl) ester (2-cyano-1-phenylhexan-2-yl) ethaneperoxoate (1-benzyl-1-cyano-pentyl) peroxyacetate (2-cyano-1-phenyl-hexan-2-yl) ethaneperoxoate
Wiley ID 1264804