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(E)-3-(2-nitrobutyl)-3-hepten-2-one
SpectraBase Compound ID JFEd5TZear2
InChI InChI=1S/C11H19NO3/c1-4-6-7-10(9(3)13)8-11(5-2)12(14)15/h7,11H,4-6,8H2,1-3H3/b10-7+
InChIKey NCNNDAJMKQQLPE-JXMROGBWSA-N
Mol Weight 213.28 g/mol
Molecular Formula C11H19NO3
Exact Mass 213.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KOi6G5evUE
Name (E)-3-(2-nitrobutyl)-3-hepten-2-one
Alternate Name(s) (E)-3-(2-nitrobutyl)hept-3-en-2-one
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Formula C11H19NO3
InChI InChI=1S/C11H19NO3/c1-4-6-7-10(9(3)13)8-11(5-2)12(14)15/h7,11H,4-6,8H2,1-3H3/b10-7+
InChIKey NCNNDAJMKQQLPE-JXMROGBWSA-N
Molecular Weight 213.277 g/mol
SMILES C(N(=O)=O)(C\C(C(=O)C)=C/CCC)CC
SPLASH splash10-0006-9100000000-91f607fb1445ec03f03a
Source of Spectrum SO-0-197-2
Wiley ID 877323