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

*Links on SpectraBase are not permalinks.

Isophthalic acid, pentadecyl pent-4-enyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentadecyl pent-4-enyl ester
SpectraBase Compound ID Idn7rE1jbkd
InChI InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-6-4-2/h4,19-21,24H,2-3,5-18,22-23H2,1H3
InChIKey MEQRYRCELSCZKW-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 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 6C8gv00SDTo
Name Isophthalic acid, pentadecyl pent-4-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-6-4-2/h4,19-21,24H,2-3,5-18,22-23H2,1H3
InChIKey MEQRYRCELSCZKW-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCCC)C(OCCCC=C)=O