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4-Isopropyl-phenyl diphenyl phosphate

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

4-Isopropyl-phenyl diphenyl phosphate
SpectraBase Compound ID IOpTBIBdVGj
InChI InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKey JUHFQCKQQLMGAB-UHFFFAOYSA-N
Mol Weight 368.37 g/mol
Molecular Formula C21H21O4P
Exact Mass 368.117746 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID QkSdPuxcx3
Name Phosphoric acid, 4-(1-methylethyl)phenyl diphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.117746150 u
Formula C21H21O4P
InChI InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKey JUHFQCKQQLMGAB-UHFFFAOYSA-N
Molecular Weight 368.369 g/mol
SMILES C1(=CC=CC=C1)OP(=O)(OC1=CC=CC=C1)OC1=CC=C(C=C1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827994