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2-Oxo-6-phenyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid

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

2-Oxo-6-phenyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
SpectraBase Compound ID RqDWFL75rn
InChI InChI=1S/C12H10O4/c13-10(14)12-8(6-16-11(12)15)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)
InChIKey MCWUVKNEWRSKCR-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DqD7mYsdu0W
Name 2-oxo-6-Phenyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.057908798 u
Formula C12H10O4
InChI InChI=1S/C12H10O4/c13-10(14)12-8(6-16-11(12)15)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,13,14)
InChIKey MCWUVKNEWRSKCR-UHFFFAOYSA-N
Molecular Weight 218.208 g/mol
SMILES C12(C(COC2=O)C1C1=CC=CC=C1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977149