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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,3-dimethylbut-2-yl tetradecyl ester
SpectraBase Compound ID 8qYRn8Q2zYh
InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(22-24)27(30)32-23(2)28(3,4)5/h18-20,22-23H,6-17,21H2,1-5H3
InChIKey PUFZTGAYBLGABS-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 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 d35QFtIbjd
Name Isophthalic acid, 3,3-dimethylbut-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(22-24)27(30)32-23(2)28(3,4)5/h18-20,22-23H,6-17,21H2,1-5H3
InChIKey PUFZTGAYBLGABS-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(=CC=CC(=C1)C(OC(C(C)(C)C)C)=O)C(=O)OCCCCCCCCCCCCCC