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2-Butenoic acid, 3-(acetyloxy)-4-nitro-, methyl ester, (E)-
SpectraBase Compound ID KiuGGXj3KgY
InChI InChI=1S/C7H9NO6/c1-5(9)14-6(4-8(11)12)3-7(10)13-2/h3H,4H2,1-2H3/b6-3+
InChIKey JWTKBLRFKZLCPF-ZZXKWVIFSA-N
Mol Weight 203.15 g/mol
Molecular Formula C7H9NO6
Exact Mass 203.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdBiytGN42O
Name 2-Butenoic acid, 3-(acetyloxy)-4-nitro-, methyl ester, (E)-
CAS Registry Number 87731-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO6
InChI InChI=1S/C7H9NO6/c1-5(9)14-6(4-8(11)12)3-7(10)13-2/h3H,4H2,1-2H3/b6-3+
InChIKey JWTKBLRFKZLCPF-ZZXKWVIFSA-N
Molecular Weight 203.150 g/mol
SMILES C(N(=O)=O)\C(=C/C(=O)OC)OC(=O)C
SPLASH splash10-0006-9000000000-21623141d3353248ce69
Source of Spectrum H-66-1490-0
Synonyms Methyl (2E)-3-(acetyloxy)-4-nitro-2-butenoate Methyl (E)-3-acetoxy-4-nitro-2-butenoate
Wiley ID 1200525