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Isophthalic acid, 10-chlorodecyl isohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 10-chlorodecyl isohexyl ester
SpectraBase Compound ID DHlRZndzUrv
InChI InChI=1S/C24H37ClO4/c1-20(2)13-12-18-29-24(27)22-15-11-14-21(19-22)23(26)28-17-10-8-6-4-3-5-7-9-16-25/h11,14-15,19-20H,3-10,12-13,16-18H2,1-2H3
InChIKey AZVFSAKVZVWIDY-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rILSTqcw6X
Name Isophthalic acid, 10-chlorodecyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-20(2)13-12-18-29-24(27)22-15-11-14-21(19-22)23(26)28-17-10-8-6-4-3-5-7-9-16-25/h11,14-15,19-20H,3-10,12-13,16-18H2,1-2H3
InChIKey AZVFSAKVZVWIDY-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCC(C)C)C(OCCCCCCCCCCCl)=O