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12-nitro-15-oxohexadecanoic acid methyl ester
SpectraBase Compound ID 821f1Xethmw
InChI InChI=1S/C17H31NO5/c1-15(19)13-14-16(18(21)22)11-9-7-5-3-4-6-8-10-12-17(20)23-2/h16H,3-14H2,1-2H3
InChIKey ZMWMXHDORUMINC-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C17H31NO5
Exact Mass 329.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpqqxXRy4Zm
Name 12-nitro-15-oxohexadecanoic acid methyl ester
Alternate Name(s) 15-keto-12-nitro-palmitic acid methyl ester Methyl 12-nitro-15-oxidanylidene-hexadecanoate Methyl 12-nitro-15-oxo-hexadecanoate
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Formula C17H31NO5
InChI InChI=1S/C17H31NO5/c1-15(19)13-14-16(18(21)22)11-9-7-5-3-4-6-8-10-12-17(20)23-2/h16H,3-14H2,1-2H3
InChIKey ZMWMXHDORUMINC-UHFFFAOYSA-N
Molecular Weight 329.437 g/mol
SMILES C(N(=O)=O)(CCC(=O)C)CCCCCCCCCCC(=O)OC
SPLASH splash10-0006-9100000000-1d7da13382c9354eb938
Source of Spectrum H-66-1523-0
Wiley ID 1327064