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3-hydroxybutyronitrile, m-nitrobenzoate

View entire compound with spectra: 3 NMR, 1 FTIR, 2 UV-Vis, and 1 MS (GC)

3-hydroxybutyronitrile, m-nitrobenzoate
SpectraBase Compound ID 9n7239nwxH0
InChI InChI=1S/C11H10N2O4/c1-8(5-6-12)17-11(14)9-3-2-4-10(7-9)13(15)16/h2-4,7-8H,5H2,1H3
InChIKey MNJQYSGQUOONJM-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C11H10N2O4
Exact Mass 234.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lig43NPDoF
Name 1-cyanopropan-2-yl 3-nitrobenzoate
Alternate Name(s) 3-Nitrobenzoic acid (2-cyano-1-methyl-ethyl) ester 3-Nitrobenzoic acid 1-cyanopropan-2-yl ester Benzoic acid, 3-nitro-, 2-cyano-1-methylethyl ester
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Formula C11H10N2O4
InChI InChI=1S/C11H10N2O4/c1-8(5-6-12)17-11(14)9-3-2-4-10(7-9)13(15)16/h2-4,7-8H,5H2,1H3
InChIKey MNJQYSGQUOONJM-UHFFFAOYSA-N
Molecular Weight 234.211 g/mol
SMILES CC(CC#N)OC(c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0udi-3900000000-438fdca2a5293dfad6a7
Wiley ID 1449927