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Phthalic acid, 2,4-dichlorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl undecyl ester
SpectraBase Compound ID 5LuNpa4VpYC
InChI InChI=1S/C26H32Cl2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-15-16-21(27)18-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3
InChIKey XCVOXVMTUBHQTR-UHFFFAOYSA-N
Mol Weight 479.4 g/mol
Molecular Formula C26H32Cl2O4
Exact Mass 478.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZN8WGpNFbB
Name Phthalic acid, 2,4-dichlorobenzyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.167764906 u
Formula C26H32Cl2O4
InChI InChI=1S/C26H32Cl2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-15-16-21(27)18-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3
InChIKey XCVOXVMTUBHQTR-UHFFFAOYSA-N
Molecular Weight 479.444 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCCCCCCC