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(E)-2-(nitromethyl)-2-hexenoic acid ethyl ester
SpectraBase Compound ID HWxcR8CQySr
InChI InChI=1S/C9H15NO4/c1-3-5-6-8(7-10(12)13)9(11)14-4-2/h6H,3-5,7H2,1-2H3/b8-6+
InChIKey PDFBAHFIVWNIHK-SOFGYWHQSA-N
Mol Weight 201.22 g/mol
Molecular Formula C9H15NO4
Exact Mass 201.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ih1S0M45nJ
Name (E)-2-(nitromethyl)-2-hexenoic acid ethyl ester
Alternate Name(s) (E)-2-(nitromethyl)hex-2-enoic acid ethyl ester Ethyl (E)-2-(nitromethyl)hex-2-enoate
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Formula C9H15NO4
InChI InChI=1S/C9H15NO4/c1-3-5-6-8(7-10(12)13)9(11)14-4-2/h6H,3-5,7H2,1-2H3/b8-6+
InChIKey PDFBAHFIVWNIHK-SOFGYWHQSA-N
Molecular Weight 201.222 g/mol
SMILES C(\C(CN(=O)=O)=C\CCC)(=O)OCC
SPLASH splash10-0a4i-0900000000-24ff9eb6f585109ba9e8
Source of Spectrum KC-0-1565-29
Wiley ID 788105