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Phenyl[6-p-tolylnaphtho(2,3-d)(1,3)dioxol-5-yl]methanone

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

Phenyl[6-p-tolylnaphtho(2,3-d)(1,3)dioxol-5-yl]methanone
SpectraBase Compound ID LOgmEN9Ziib
InChI InChI=1S/C25H18O3/c1-16-7-9-17(10-8-16)20-12-11-19-13-22-23(28-15-27-22)14-21(19)24(20)25(26)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKey IBVVBMMHOPRFMS-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C25H18O3
Exact Mass 366.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4qn9CkKDjD
Name Phenyl[6-p-tolylnaphtho(2,3-D)(1,3)dioxol-5-yl]methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.125594437 u
Formula C25H18O3
InChI InChI=1S/C25H18O3/c1-16-7-9-17(10-8-16)20-12-11-19-13-22-23(28-15-27-22)14-21(19)24(20)25(26)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKey IBVVBMMHOPRFMS-UHFFFAOYSA-N
Molecular Weight 366.416 g/mol
SMILES C1(=C2C=C3OCOC3=CC2=CC=C1C1=CC=C(C=C1)C)C(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829452