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2-Benzyloctahydroisoindol-1-one

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

2-Benzyloctahydroisoindol-1-one
SpectraBase Compound ID 5xRxvk6OrDa
InChI InChI=1S/C15H19NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey QXGJOUACXOXZKX-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C15H19NO
Exact Mass 229.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K186gLW1Qc6
Name 2-Benzyloctahydroisoindol-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.146664235 u
Formula C15H19NO
InChI InChI=1S/C15H19NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey QXGJOUACXOXZKX-UHFFFAOYSA-N
Molecular Weight 229.323 g/mol
SMILES C1(N(CC2CCCCC12)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919998