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

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,3-dimethylbut-2-yl nonyl ester
SpectraBase Compound ID A30ptAoV1Ud
InChI InChI=1S/C23H36O4/c1-6-7-8-9-10-11-12-16-26-21(24)19-14-13-15-20(17-19)22(25)27-18(2)23(3,4)5/h13-15,17-18H,6-12,16H2,1-5H3
InChIKey CHMGSJZFAZLPKF-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hj0boM2PCXk
Name Isophthalic acid, 3,3-dimethylbut-2-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-6-7-8-9-10-11-12-16-26-21(24)19-14-13-15-20(17-19)22(25)27-18(2)23(3,4)5/h13-15,17-18H,6-12,16H2,1-5H3
InChIKey CHMGSJZFAZLPKF-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCCCCCCC