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Phthalic acid, 4-chloro-2-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl tridecyl ester
SpectraBase Compound ID HlBzJalyoCq
InChI InChI=1S/C28H37ClO4/c1-3-4-5-6-7-8-9-10-11-12-15-20-32-27(30)24-16-13-14-17-25(24)28(31)33-26-19-18-23(29)21-22(26)2/h13-14,16-19,21H,3-12,15,20H2,1-2H3
InChIKey SXRPBUATCBSGFC-UHFFFAOYSA-N
Mol Weight 473.1 g/mol
Molecular Formula C28H37ClO4
Exact Mass 472.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kye4mpShfpQ
Name Phthalic acid, 4-chloro-2-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.238037367 u
Formula C28H37ClO4
InChI InChI=1S/C28H37ClO4/c1-3-4-5-6-7-8-9-10-11-12-15-20-32-27(30)24-16-13-14-17-25(24)28(31)33-26-19-18-23(29)21-22(26)2/h13-14,16-19,21H,3-12,15,20H2,1-2H3
InChIKey SXRPBUATCBSGFC-UHFFFAOYSA-N
Molecular Weight 473.053 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCCCCCCC)=O