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Isophthalic acid, decyl 3,3-dimethylbut-2-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 3,3-dimethylbut-2-yl ester
SpectraBase Compound ID JRxcRRXI78b
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(18-20)23(26)28-19(2)24(3,4)5/h14-16,18-19H,6-13,17H2,1-5H3
InChIKey PUMSPAVLFXGOFB-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rbjgYbU5iO
Name Isophthalic acid, decyl 3,3-dimethylbut-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(18-20)23(26)28-19(2)24(3,4)5/h14-16,18-19H,6-13,17H2,1-5H3
InChIKey PUMSPAVLFXGOFB-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCCCCCCCC