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Phosphoric acid, dihexyl nonyl ester

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

Phosphoric acid, dihexyl nonyl ester
SpectraBase Compound ID 54M6FEuFJk5
InChI InChI=1S/C21H45O4P/c1-4-7-10-13-14-15-18-21-25-26(22,23-19-16-11-8-5-2)24-20-17-12-9-6-3/h4-21H2,1-3H3
InChIKey MVRIWUBWKNDJMY-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C21H45O4P
Exact Mass 392.305547 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AKfHRmuOVh7
Name Phosphoric acid, dihexyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.305546923 u
Formula C21H45O4P
InChI InChI=1S/C21H45O4P/c1-4-7-10-13-14-15-18-21-25-26(22,23-19-16-11-8-5-2)24-20-17-12-9-6-3/h4-21H2,1-3H3
InChIKey MVRIWUBWKNDJMY-UHFFFAOYSA-N
Molecular Weight 392.561 g/mol
SMILES CCCCCCOP(OCCCCCC)(OCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911792