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Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylalaninate
SpectraBase Compound ID JrcBDyjeIR5
InChI InChI=1S/C22H29NO5/c1-3-28-21(26)22(13-8-7-12-19(22)24)14-9-15-23-18(20(25)27-2)16-17-10-5-4-6-11-17/h4-6,10-11,15,18H,3,7-9,12-14,16H2,1-2H3/b23-15+
InChIKey QPUSHWSLHJVKSL-HZHRSRAPSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WBbfA1H05f
Name Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylalaninate
Alternate Name(s) Ethyl 1-((3E)-3-{[(E)-1-benzyl-2-methoxy-2-oxoethyl]imino}propyl)-2-oxocyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-3-28-21(26)22(13-8-7-12-19(22)24)14-9-15-23-18(20(25)27-2)16-17-10-5-4-6-11-17/h4-6,10-11,15,18H,3,7-9,12-14,16H2,1-2H3/b23-15+
InChIKey QPUSHWSLHJVKSL-HZHRSRAPSA-N
Molecular Weight 387.476 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCCC1)CC\C=N\C(C(=O)OC)Cc1ccccc1
SPLASH splash10-000l-9000000000-81c3ed47036926340cd0
Source of Spectrum F-55-1770-2
Wiley ID 836733