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((E)-7-Naphthalen-2-yl-5-oxo-hept-6-enoylamino)-acetic acid ethyl ester
SpectraBase Compound ID L3j2TXVkq8D
InChI InChI=1S/C21H23NO4/c1-2-26-21(25)15-22-20(24)9-5-8-19(23)13-11-16-10-12-17-6-3-4-7-18(17)14-16/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,22,24)/b13-11+
InChIKey IAOYCNAAGNIURB-ACCUITESSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qMDRfpGhQm
Name ((E)-7-Naphthalen-2-yl-5-oxo-hept-6-enoylamino)-acetic acid ethyl ester
Alternate Name(s) 2-[[(E)-7-(2-naphthalenyl)-1,5-dioxohept-6-enyl]amino]acetic acid ethyl ester ethyl 2-[[(E)-7-naphthalen-2-yl-5-oxohept-6-enoyl]amino]acetate ethyl 2-[[(E)-7-(2-naphthyl)-5-oxo-hept-6-enoyl]amino]acetate ethyl 2-[[(E)-7-naphthalen-2-yl-5-oxidanylidene-hept-6-enoyl]amino]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-2-26-21(25)15-22-20(24)9-5-8-19(23)13-11-16-10-12-17-6-3-4-7-18(17)14-16/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,22,24)/b13-11+
InChIKey IAOYCNAAGNIURB-ACCUITESSA-N
Molecular Weight 353.418 g/mol
SMILES N(C(=O)CCCC(\C=C\c1cc2ccccc2cc1)=O)CC(=O)OCC
SPLASH splash10-0udi-0900000000-6a4b40315f7612bc2fbe
Source of Spectrum G2-18-8476-20
Wiley ID 1662014