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

*Links on SpectraBase are not permalinks.
dioctyl 12-hexyl-13-oct-2-enyl-docos-10-enedioate
SpectraBase Compound ID JEf7l4jTCHe
InChI InChI=1S/C52H98O4/c1-5-9-13-17-26-34-42-50(44-36-28-24-25-30-38-46-52(54)56-48-40-32-19-15-11-7-3)49(41-33-16-12-8-4)43-35-27-22-20-21-23-29-37-45-51(53)55-47-39-31-18-14-10-6-2/h26,34-35,43,49-50H,5-25,27-33,36-42,44-48H2,1-4H3
InChIKey AOLFLVNYKWLTJU-UHFFFAOYSA-N
Mol Weight 787.4 g/mol
Molecular Formula C52H98O4
Exact Mass 786.746512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 28GPEKMT68
Name dioctyl 12-hexyl-13-oct-2-enyl-docos-10-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H98O4
InChI InChI=1S/C52H98O4/c1-5-9-13-17-26-34-42-50(44-36-28-24-25-30-38-46-52(54)56-48-40-32-19-15-11-7-3)49(41-33-16-12-8-4)43-35-27-22-20-21-23-29-37-45-51(53)55-47-39-31-18-14-10-6-2/h26,34-35,43,49-50H,5-25,27-33,36-42,44-48H2,1-4H3
InChIKey AOLFLVNYKWLTJU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290041025
Molecular Weight 787.352 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCC)=O)=CC(CCCCCC)C(CCCCCCCCC(OCCCCCCCC)=O)CC=CCCCCC
SPLASH splash10-0ac3-9101122200-b6261a8e2a2f2bdabff9
Source of Spectrum RCM-4-457-Fig.11 (a)
Wiley ID 1838748