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Methyl 2-(Nitromethyl)butanoate
SpectraBase Compound ID 4V7JBprDNeZ
InChI InChI=1S/C6H11NO4/c1-3-5(4-7(9)10)6(8)11-2/h5H,3-4H2,1-2H3
InChIKey XVHXDYYTFGOQHT-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C6H11NO4
Exact Mass 161.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xf1G2fFg0
Name Methyl 2-(Nitromethyl)butanoate
Alternate Name(s) 2-(nitromethyl)butanoic acid methyl ester 2-(nitromethyl)butyric acid methyl ester
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Formula C6H11NO4
InChI InChI=1S/C6H11NO4/c1-3-5(4-7(9)10)6(8)11-2/h5H,3-4H2,1-2H3
InChIKey XVHXDYYTFGOQHT-UHFFFAOYSA-N
Molecular Weight 161.157 g/mol
SMILES C(C(CC)CN(=O)=O)(=O)OC
SPLASH splash10-0a4i-9000000000-d3b7469ec2a28ceb489c
Source of Spectrum C5-2004-145-12
Wiley ID 1616481