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Phosphoric acid, dipentyl octyl ester

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Phosphoric acid, dipentyl octyl ester
SpectraBase Compound ID Ih85u6T6nDY
InChI InChI=1S/C18H39O4P/c1-4-7-10-11-12-15-18-22-23(19,20-16-13-8-5-2)21-17-14-9-6-3/h4-18H2,1-3H3
InChIKey BQZKLRXALAUTCP-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C18H39O4P
Exact Mass 350.258597 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GdTh895JdXE
Name Phosphoric acid, dipentyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.258596730 u
Formula C18H39O4P
InChI InChI=1S/C18H39O4P/c1-4-7-10-11-12-15-18-22-23(19,20-16-13-8-5-2)21-17-14-9-6-3/h4-18H2,1-3H3
InChIKey BQZKLRXALAUTCP-UHFFFAOYSA-N
Molecular Weight 350.480 g/mol
SMILES CCCCCOP(OCCCCC)(OCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939758