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2-Benzyl-1-methyl-8-oxa-2-azabicyclo[3.3.0]octan-3-one

View entire compound with spectra: 2 FTIR, and 1 Raman

2-Benzyl-1-methyl-8-oxa-2-azabicyclo[3.3.0]octan-3-one
SpectraBase Compound ID b3RrmvF79o
InChI InChI=1S/C14H17NO2/c1-14-12(7-8-17-14)9-13(16)15(14)10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey XUZCHJSOJLSETB-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6ulFUADWt50
Name 2-Benzyl-1-methyl-8-oxa-2-azabicyclo[3.3.0]octan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.125928789 u
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-14-12(7-8-17-14)9-13(16)15(14)10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey XUZCHJSOJLSETB-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C1C2CC(N(C2(OC1)C)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Raman) 0.98559