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

*Links on SpectraBase are not permalinks.

Phthalic acid, octadecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octadecyl trans-hex-3-enyl ester
SpectraBase Compound ID 3TqAh9yLVjr
InChI InChI=1S/C32H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-8-6-4-2/h6,8,21-22,25-26H,3-5,7,9-20,23-24,27-28H2,1-2H3/b8-6+
InChIKey YAPKMXPAPDIWEF-SOFGYWHQSA-N
Mol Weight 500.8 g/mol
Molecular Formula C32H52O4
Exact Mass 500.38656 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 HWxlVYKJNPo
Name Phthalic acid, octadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.386560150 u
Formula C32H52O4
InChI InChI=1S/C32H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-8-6-4-2/h6,8,21-22,25-26H,3-5,7,9-20,23-24,27-28H2,1-2H3/b8-6+
InChIKey YAPKMXPAPDIWEF-SOFGYWHQSA-N
Molecular Weight 500.764 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCCCC)=O)C(OCC\C=C\CC)=O