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Phthalic acid, 8-chlorooctyl tridecyl ester

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

Phthalic acid, 8-chlorooctyl tridecyl ester
SpectraBase Compound ID CP909ssrRnQ
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-11-14-19-24-33-28(31)26-21-16-17-22-27(26)29(32)34-25-20-15-12-10-13-18-23-30/h16-17,21-22H,2-15,18-20,23-25H2,1H3
InChIKey CQNGMAKBAHIWEO-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnV9I12Obp
Name Phthalic acid, 8-chlorooctyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-11-14-19-24-33-28(31)26-21-16-17-22-27(26)29(32)34-25-20-15-12-10-13-18-23-30/h16-17,21-22H,2-15,18-20,23-25H2,1H3
InChIKey CQNGMAKBAHIWEO-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O