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Methyl 3-((E)-5-oxooct-6-enoylamino)-benzoate
SpectraBase Compound ID 1TAv96MtTrY
InChI InChI=1S/C16H19NO4/c1-3-6-14(18)9-5-10-15(19)17-13-8-4-7-12(11-13)16(20)21-2/h3-4,6-8,11H,5,9-10H2,1-2H3,(H,17,19)/b6-3+
InChIKey OWTILJKQHWQUBR-ZZXKWVIFSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrMCKLNK2R5
Name Methyl 3-((E)-5-oxooct-6-enoylamino)-benzoate
Alternate Name(s) (E)-methyl 3-(5-oxooct-6-enamido)benzoate 3-[[(E)-1,5-dioxooct-6-enyl]amino]benzoic acid methyl ester Methyl 3-[[(E)-5-oxooct-6-enoyl]amino]benzoate Methyl 3-[[(E)-5-oxidanylideneoct-6-enoyl]amino]benzoate
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Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-3-6-14(18)9-5-10-15(19)17-13-8-4-7-12(11-13)16(20)21-2/h3-4,6-8,11H,5,9-10H2,1-2H3,(H,17,19)/b6-3+
InChIKey OWTILJKQHWQUBR-ZZXKWVIFSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 289.331 g/mol
SMILES N(C(CCCC(\C=C\C)=O)=O)c1cc(C(=O)OC)ccc1
SPLASH splash10-13y0-4900000000-70b1195a16727f30139d
Source of Spectrum APC-345-662-7d
Wiley ID 1769414