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1-Methyl-3-phenyl-octahydrocyclohepta[B]pyrrol-4-one

View entire compound with spectra: 1 FTIR

1-Methyl-3-phenyl-octahydrocyclohepta[B]pyrrol-4-one
SpectraBase Compound ID B64EyrDxB6h
InChI InChI=1S/C16H21NO/c1-17-11-13(12-7-3-2-4-8-12)16-14(17)9-5-6-10-15(16)18/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKey NDQDEOUEJMMJOB-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GcCBDQSebMX
Name 1-Methyl-3-phenyl-octahydrocyclohepta[B]pyrrol-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-17-11-13(12-7-3-2-4-8-12)16-14(17)9-5-6-10-15(16)18/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKey NDQDEOUEJMMJOB-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C1CC(C2C(C3=CC=CC=C3)CN(C2CC1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972818