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Phthalic acid, 8-chlorooctyl decyl ester

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

Phthalic acid, 8-chlorooctyl decyl ester
SpectraBase Compound ID 4F0qIxoXaio
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-8-11-16-21-30-25(28)23-18-13-14-19-24(23)26(29)31-22-17-12-9-7-10-15-20-27/h13-14,18-19H,2-12,15-17,20-22H2,1H3
InChIKey CXAWDDCDKKAKGK-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JcU9yQPkGpq
Name Phthalic acid, 8-chlorooctyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-8-11-16-21-30-25(28)23-18-13-14-19-24(23)26(29)31-22-17-12-9-7-10-15-20-27/h13-14,18-19H,2-12,15-17,20-22H2,1H3
InChIKey CXAWDDCDKKAKGK-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859063