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

*Links on SpectraBase are not permalinks.

Sebacic acid, hexyl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 1-phenylpropyl ester
SpectraBase Compound ID 8nxMVbiqpod
InChI InChI=1S/C25H40O4/c1-3-5-6-16-21-28-24(26)19-14-9-7-8-10-15-20-25(27)29-23(4-2)22-17-12-11-13-18-22/h11-13,17-18,23H,3-10,14-16,19-21H2,1-2H3
InChIKey SSZDQHXQPLKYCC-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 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 FqhA94RVF1J
Name Sebacic acid, hexyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-16-21-28-24(26)19-14-9-7-8-10-15-20-25(27)29-23(4-2)22-17-12-11-13-18-22/h11-13,17-18,23H,3-10,14-16,19-21H2,1-2H3
InChIKey SSZDQHXQPLKYCC-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCCC(OC(CC)C1=CC=CC=C1)=O)CCCCC(OCCCCCC)=O