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Methyl N-[3-(1'-methoxycarbonyl-2'-oxocycloheptyl)propylidene]alaninate
SpectraBase Compound ID 8p0jHuBFnDd
InChI InChI=1S/C16H25NO5/c1-12(14(19)21-2)17-11-7-10-16(15(20)22-3)9-6-4-5-8-13(16)18/h11-12H,4-10H2,1-3H3/b17-11+
InChIKey XSBPBBVUZPPEBE-GZTJUZNOSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVDGVc8uw91
Name Methyl N-[3-(1'-methoxycarbonyl-2'-oxocycloheptyl)propylidene]alaninate
Alternate Name(s) Methyl 1-((3E)-3-{[(E,1S)-2-methoxy-1-methyl-2-oxoethyl]imino}propyl)-2-oxocycloheptanecarboxylate
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Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-12(14(19)21-2)17-11-7-10-16(15(20)22-3)9-6-4-5-8-13(16)18/h11-12H,4-10H2,1-3H3/b17-11+
InChIKey XSBPBBVUZPPEBE-GZTJUZNOSA-N
Molecular Weight 311.378 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCC1)CC\C=N\C(C(=O)OC)C
SPLASH splash10-0udi-1090000000-6bc7c3efd6a72988f98d
Source of Spectrum F-55-1771-11
Wiley ID 836730