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Isophthalic acid, 4-chloro-3-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-chloro-3-methylphenyl decyl ester
SpectraBase Compound ID JVsl22xejXO
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)30-22-14-15-23(26)19(2)17-22/h11-15,17-18H,3-10,16H2,1-2H3
InChIKey KXJSBXLCSJWDJT-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 5RP1LYeJ7k9
Name Isophthalic acid, 4-chloro-3-methylphenyl decyl ester
Comments Computed using HOSE algorithm
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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)30-22-14-15-23(26)19(2)17-22/h11-15,17-18H,3-10,16H2,1-2H3
InChIKey KXJSBXLCSJWDJT-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C1=C(C=C(C(=C1)Cl)C)OC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O