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Phthalic acid, 5-methylhex-2-yl decyl ester

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

Phthalic acid, 5-methylhex-2-yl decyl ester
SpectraBase Compound ID zzgAVHkf2u
InChI InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-14-19-28-24(26)22-15-12-13-16-23(22)25(27)29-21(4)18-17-20(2)3/h12-13,15-16,20-21H,5-11,14,17-19H2,1-4H3
InChIKey HAAIVGCCJOUZBG-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BIhDY42OSqY
Name Phthalic acid, 5-methylhex-2-yl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-14-19-28-24(26)22-15-12-13-16-23(22)25(27)29-21(4)18-17-20(2)3/h12-13,15-16,20-21H,5-11,14,17-19H2,1-4H3
InChIKey HAAIVGCCJOUZBG-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802099