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1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one
SpectraBase Compound ID 4wE0GHuQxXo
InChI InChI=1S/C19H18O3/c1-18-12-16(20)13-19(22-18,15-10-6-3-7-11-15)17(21-18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKey YVQCQBZLHIQWKW-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4fcoSBvMEUG
Name 1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-18-12-16(20)13-19(22-18,15-10-6-3-7-11-15)17(21-18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKey YVQCQBZLHIQWKW-UHFFFAOYSA-N
SMILES C1(C2(CC(CC(O1)(O2)C)=O)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941396