For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Isophthalic acid, heptyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptyl 2-isopropylphenyl ester
SpectraBase Compound ID A0uHhk7CveV
InChI InChI=1S/C24H30O4/c1-4-5-6-7-10-16-27-23(25)19-12-11-13-20(17-19)24(26)28-22-15-9-8-14-21(22)18(2)3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3
InChIKey MWIAAEGQVJPIFM-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AMd2P60L8zQ
Name Isophthalic acid, heptyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-10-16-27-23(25)19-12-11-13-20(17-19)24(26)28-22-15-9-8-14-21(22)18(2)3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3
InChIKey MWIAAEGQVJPIFM-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O)(C)C