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Trans-6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID ApdJOJENUQ2
InChI InChI=1S/C10H9NO2/c12-10-11-8(6-13-10)9(11)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+,11?/m0/s1
InChIKey AJWSVXSYCTXNFU-VUHGHZMFSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DYNDlOOu7PJ
Name Trans-6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 175.063328532 u
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c12-10-11-8(6-13-10)9(11)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+,11?/m0/s1
InChIKey AJWSVXSYCTXNFU-VUHGHZMFSA-N
Molecular Weight 175.187 g/mol
SMILES [C@]12(N(C(OC2)=O)[C@@]1(C=1C=CC=CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916486