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Isophthalic acid, 2-chloro-5-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-chloro-5-methylphenyl decyl ester
SpectraBase Compound ID KPoBatjCMpK
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-10-16-29-24(27)20-12-11-13-21(18-20)25(28)30-23-17-19(2)14-15-22(23)26/h11-15,17-18H,3-10,16H2,1-2H3
InChIKey AYWFZGNKHHIWPP-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vcnb7abtK6
Name Isophthalic acid, 2-chloro-5-methylphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-10-16-29-24(27)20-12-11-13-21(18-20)25(28)30-23-17-19(2)14-15-22(23)26/h11-15,17-18H,3-10,16H2,1-2H3
InChIKey AYWFZGNKHHIWPP-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C1=C(C=CC=C1C(OC1=CC(C)=CC=C1Cl)=O)C(=O)OCCCCCCCCCC