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Methyl diphenyl-o-tolylacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl diphenyl-o-tolylacetate
SpectraBase Compound ID 3u0AC8gFW5w
InChI InChI=1S/C22H20O2/c1-17-11-9-10-16-20(17)22(21(23)24-2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,1-2H3
InChIKey WEUHKYUKMCDIFJ-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C22H20O2
Exact Mass 316.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8hI2Ju5s4vc
Name Methyl diphenyl-o-tolylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.146329882 u
Formula C22H20O2
InChI InChI=1S/C22H20O2/c1-17-11-9-10-16-20(17)22(21(23)24-2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,1-2H3
InChIKey WEUHKYUKMCDIFJ-UHFFFAOYSA-N
Molecular Weight 316.400 g/mol
SMILES C1(=CC=CC=C1C(C=1C=CC=CC1)(C=1C=CC=CC1)C(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936716