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1-Benzyl-1-aza-2-oxo-5-methoxy-benzo[6,7-a]cycloheptane

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

1-Benzyl-1-aza-2-oxo-5-methoxy-benzo[6,7-a]cycloheptane
SpectraBase Compound ID IVhbpinAGBv
InChI InChI=1S/C18H19NO2/c1-21-17-11-12-18(20)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,17H,11-13H2,1H3
InChIKey SIGCVKPDOKBBDR-UHFFFAOYSA-N
Mol Weight 281.36 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BEvczOyuhdP
Name 1-Benzyl-1-aza-2-oxo-5-methoxy-benzo[6,7-A]cycloheptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-21-17-11-12-18(20)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,17H,11-13H2,1H3
InChIKey SIGCVKPDOKBBDR-UHFFFAOYSA-N
SMILES C=12N(C(CCC(C2=CC=CC1)OC)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921938