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Isophthalic acid, 2-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylphenyl nonyl ester
SpectraBase Compound ID 71ZkrIAZC9e
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-8-11-17-27-23(25)20-14-12-15-21(18-20)24(26)28-22-16-10-9-13-19(22)2/h9-10,12-16,18H,3-8,11,17H2,1-2H3
InChIKey YBEDUQRVBJAEOF-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KzFY9hhliF
Name Isophthalic acid, 2-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-8-11-17-27-23(25)20-14-12-15-21(18-20)24(26)28-22-16-10-9-13-19(22)2/h9-10,12-16,18H,3-8,11,17H2,1-2H3
InChIKey YBEDUQRVBJAEOF-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)(OC1=CC=CC=C1C)=O