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Methyl 3-butyl-4-nitro-4-pentenoate

View entire compound with spectra: 2 MS (GC)

Methyl 3-butyl-4-nitro-4-pentenoate
SpectraBase Compound ID AUFR1gbZ5Fx
InChI InChI=1S/C10H17NO4/c1-4-5-6-9(7-10(12)15-3)8(2)11(13)14/h9H,2,4-7H2,1,3H3
InChIKey CLMXKMTYRWTCQX-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C10H17NO4
Exact Mass 215.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14OHWikI0e
Name Methyl 3-butyl-4-nitro-4-pentenoate
Alternate Name(s) 3-(1-nitroethenyl)heptanoic acid methyl ester 3-Butyl-4-nitro-pent-4-enoic acid, methyl ester Methyl 3-(1-nitroethenyl)heptanoate Methyl 3-(1-nitrovinyl)heptanoate
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Formula C10H17NO4
InChI InChI=1S/C10H17NO4/c1-4-5-6-9(7-10(12)15-3)8(2)11(13)14/h9H,2,4-7H2,1,3H3
InChIKey CLMXKMTYRWTCQX-UHFFFAOYSA-N
Molecular Weight 215.249 g/mol
SMILES C(N(=O)=O)(=C)C(CC(=O)OC)CCCC
SPLASH splash10-0aou-9300000000-7e7dfa2647be583c47cc
Wiley ID 1484852