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7H-Phenaleno[1,2-d][1,3]dioxol-7-one, 9,9-diphenyl-
SpectraBase Compound ID AaxjndnEqMD
InChI InChI=1S/C26H16O3/c27-23-20-15-7-9-17-10-8-16-21(22(17)20)24-25(23)29-26(28-24,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H
InChIKey KEFSQMZGMHTUGQ-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C26H16O3
Exact Mass 376.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AlWXmV49Zre
Name 7H-Phenaleno[1,2-D][1,3]dioxol-7-one, 9,9-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.109944372 u
Formula C26H16O3
InChI InChI=1S/C26H16O3/c27-23-20-15-7-9-17-10-8-16-21(22(17)20)24-25(23)29-26(28-24,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H
InChIKey KEFSQMZGMHTUGQ-UHFFFAOYSA-N
Molecular Weight 376.411 g/mol
SMILES C12=C(OC(O2)(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC3=C2C(C1=O)=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816592