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

*Links on SpectraBase are not permalinks.

Isophthalic acid, hept-3-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hept-3-yl pentadecyl ester
SpectraBase Compound ID 1ATJG3CVJVD
InChI InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)26-21-20-22-27(25-26)30(32)34-28(6-3)23-8-5-2/h20-22,25,28H,4-19,23-24H2,1-3H3
InChIKey ZYUKGROMTOALDZ-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 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 BRuhhpxUQOD
Name Isophthalic acid, hept-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)26-21-20-22-27(25-26)30(32)34-28(6-3)23-8-5-2/h20-22,25,28H,4-19,23-24H2,1-3H3
InChIKey ZYUKGROMTOALDZ-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCCCCCCCCCCCCCC)C(OC(CC)CCCC)=O