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

*Links on SpectraBase are not permalinks.

Sebacic acid, dodecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 3-phenylpropyl ester
SpectraBase Compound ID 7GeW0tg8hzh
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-11-14-20-27-34-30(32)25-18-12-9-10-13-19-26-31(33)35-28-21-24-29-22-16-15-17-23-29/h15-17,22-23H,2-14,18-21,24-28H2,1H3
InChIKey WLVCMBOKLITSMX-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 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 9P2XwnBQ9Bw
Name Sebacic acid, dodecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-11-14-20-27-34-30(32)25-18-12-9-10-13-19-26-31(33)35-28-21-24-29-22-16-15-17-23-29/h15-17,22-23H,2-14,18-21,24-28H2,1H3
InChIKey WLVCMBOKLITSMX-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCCCCCCCCC)=O