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7H-Phenaleno[1,2-d][1,3]dioxol-7-one, 9-(4-methoxyphenyl)-9-phenyl-
SpectraBase Compound ID 4jdXA7cuEpb
InChI InChI=1S/C27H18O4/c1-29-20-15-13-19(14-16-20)27(18-9-3-2-4-10-18)30-25-22-12-6-8-17-7-5-11-21(23(17)22)24(28)26(25)31-27/h2-16H,1H3
InChIKey GKOXCJSRQQFHCO-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C27H18O4
Exact Mass 406.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2zmILzh6kF0
Name 7H-Phenaleno[1,2-D][1,3]dioxol-7-one, 9-(4-methoxyphenyl)-9-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.120509056 u
Formula C27H18O4
InChI InChI=1S/C27H18O4/c1-29-20-15-13-19(14-16-20)27(18-9-3-2-4-10-18)30-25-22-12-6-8-17-7-5-11-21(23(17)22)24(28)26(25)31-27/h2-16H,1H3
InChIKey GKOXCJSRQQFHCO-UHFFFAOYSA-N
Molecular Weight 406.437 g/mol
SMILES C12=C(OC(O2)(C2=CC=C(C=C2)OC)C=2C=CC=CC2)C=2C=CC=C3C2C(C1=O)=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822133