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1-Benzyl-octahydrocyclohepta[B]pyrrol-4-one

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Benzyl-octahydrocyclohepta[B]pyrrol-4-one
SpectraBase Compound ID JegiiLqxtvF
InChI InChI=1S/C16H21NO/c18-16-9-5-4-8-15-14(16)10-11-17(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey AYGYFNNXABZJGF-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 DmWu9Tm0LmS
Name 1-Benzyl-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/c18-16-9-5-4-8-15-14(16)10-11-17(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey AYGYFNNXABZJGF-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C1CC(C2C(CC1)N(CC2)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981897