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Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylglycinate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zvm9LG5s7G
Name Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]phenylglycinate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.188922968 u
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)C=1C=CC=CC1