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Methyl 1-benzyl-4-oxo-1,2,3,4,5,6,7,10-octahydroazecine-6-carboxylate

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

Methyl 1-benzyl-4-oxo-1,2,3,4,5,6,7,10-octahydroazecine-6-carboxylate
SpectraBase Compound ID G4Yu3UGO7w
InChI InChI=1S/C18H23NO3/c1-22-18(21)16-9-5-6-11-19(12-10-17(20)13-16)14-15-7-3-2-4-8-15/h2-8,16H,9-14H2,1H3/b6-5-
InChIKey MHKIBFUVWRRJBK-WAYWQWQTSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 98aWTPRPV1V
Name Methyl 1-benzyl-4-oxo-1,2,3,4,5,6,7,10-octahydroazecine-6-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.167793602 u
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-22-18(21)16-9-5-6-11-19(12-10-17(20)13-16)14-15-7-3-2-4-8-15/h2-8,16H,9-14H2,1H3/b6-5-
InChIKey MHKIBFUVWRRJBK-WAYWQWQTSA-N
SMILES C(C1CC(CCN(C\C=C/C1)CC1=CC=CC=C1)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942471