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Phthalic acid, 8-chlorooctyl dodecyl ester

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

Phthalic acid, 8-chlorooctyl dodecyl ester
SpectraBase Compound ID I34u6aKarXp
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-7-8-10-13-18-23-32-27(30)25-20-15-16-21-26(25)28(31)33-24-19-14-11-9-12-17-22-29/h15-16,20-21H,2-14,17-19,22-24H2,1H3
InChIKey HNLXZGCHJULIFA-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5rkZcjVMGZl
Name Phthalic acid, 8-chlorooctyl dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-7-8-10-13-18-23-32-27(30)25-20-15-16-21-26(25)28(31)33-24-19-14-11-9-12-17-22-29/h15-16,20-21H,2-14,17-19,22-24H2,1H3
InChIKey HNLXZGCHJULIFA-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880631