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Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylglycinate
SpectraBase Compound ID 9pnf4PwarHm
InChI InChI=1S/C21H27NO5/c1-3-27-20(25)21(13-8-7-12-17(21)23)14-9-15-22-18(19(24)26-2)16-10-5-4-6-11-16/h4-6,10-11,15,18H,3,7-9,12-14H2,1-2H3/b22-15+
InChIKey FPRMVKUKKBEGHE-PXLXIMEGSA-N
Mol Weight 373.45 g/mol
Molecular Formula C21H27NO5
Exact Mass 373.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SRuwGfMxmD
Name Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylglycinate
Alternate Name(s) Ethyl 1-((3E)-3-{[(E)-2-methoxy-2-oxo-1-phenylethyl]imino}propyl)-2-oxocyclohexanecarboxylate
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Formula C21H27NO5
InChI InChI=1S/C21H27NO5/c1-3-27-20(25)21(13-8-7-12-17(21)23)14-9-15-22-18(19(24)26-2)16-10-5-4-6-11-16/h4-6,10-11,15,18H,3,7-9,12-14H2,1-2H3/b22-15+
InChIKey FPRMVKUKKBEGHE-PXLXIMEGSA-N
Molecular Weight 373.449 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)CC\C=N\C(C(=O)OC)c1ccccc1
SPLASH splash10-03di-4019000000-52dc215da360578b2b4a
Source of Spectrum F-55-1770-2
Wiley ID 836732