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6-Methoxy-2,2-diphenyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
SpectraBase Compound ID tY55hBZn5a
InChI InChI=1S/C19H16O3/c1-21-19-16(20)12-13-18(17(19)22-19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3
InChIKey MXRNAVIQLWNJRV-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C19H16O3
Exact Mass 292.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LxIOrtG8oNa
Name 6-Methoxy-2,2-diphenyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.109944372 u
Formula C19H16O3
InChI InChI=1S/C19H16O3/c1-21-19-16(20)12-13-18(17(19)22-19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3
InChIKey MXRNAVIQLWNJRV-UHFFFAOYSA-N
SMILES C12(C(C(C=3C=CC=CC3)(C=3C=CC=CC3)C=CC2=O)O1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9571