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Phthalic acid, 8-chlorooctyl undecyl ester

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

Phthalic acid, 8-chlorooctyl undecyl ester
SpectraBase Compound ID A55xcLC8QBU
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-9-12-17-22-31-26(29)24-19-14-15-20-25(24)27(30)32-23-18-13-10-8-11-16-21-28/h14-15,19-20H,2-13,16-18,21-23H2,1H3
InChIKey KSXXDPJTXBMEFH-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7eKYPixVOtT
Name Phthalic acid, 8-chlorooctyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-9-12-17-22-31-26(29)24-19-14-15-20-25(24)27(30)32-23-18-13-10-8-11-16-21-28/h14-15,19-20H,2-13,16-18,21-23H2,1H3
InChIKey KSXXDPJTXBMEFH-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900214