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3-Methyl-2-nitro-4-pentenoic acid ethyl ester
SpectraBase Compound ID CK2kLccqQru
InChI InChI=1S/C8H13NO4/c1-4-6(3)7(9(11)12)8(10)13-5-2/h4,6-7H,1,5H2,2-3H3
InChIKey PHAGKUGETXWJBG-UHFFFAOYSA-N
Mol Weight 187.19 g/mol
Molecular Formula C8H13NO4
Exact Mass 187.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LrzZmddIkE
Name 3-Methyl-2-nitro-4-pentenoic acid ethyl ester
Alternate Name(s) Ethyl 3-methyl-2-nitro-4-pentenoate 3-Methyl-2-nitro-pent-4-enoic acid ethyl ester Acetic acid, 2-(1-buten-3-yl)-2-nitro-, ethyl ester Ethyl 3-methyl-2-nitro-pent-4-enoate
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Formula C8H13NO4
InChI InChI=1S/C8H13NO4/c1-4-6(3)7(9(11)12)8(10)13-5-2/h4,6-7H,1,5H2,2-3H3
InChIKey PHAGKUGETXWJBG-UHFFFAOYSA-N
Molecular Weight 187.195 g/mol
SMILES CC(C(N(=O)=O)C(=O)OCC)C=C
SPLASH splash10-004l-9100000000-60615d41639fe7c850e9
Wiley ID 1495663