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

*Links on SpectraBase are not permalinks.
(4Z)-2-pentyl-4-tridecene-1,13-dioic acid (dimethyl ester)
SpectraBase Compound ID BJlerR2lWCc
InChI InChI=1S/C20H36O4/c1-4-5-12-15-18(20(22)24-3)16-13-10-8-6-7-9-11-14-17-19(21)23-2/h10,13,18H,4-9,11-12,14-17H2,1-3H3/b13-10-
InChIKey NGNBRXMIZQHHKW-RAXLEYEMSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 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 COIdCkYCPJI
Name (4Z)-2-pentyl-4-tridecene-1,13-dioic acid (dimethyl ester)
Alternate Name(s) Graminoxin A1 Dimethyl (Z)-2-pentyltridec-4-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-5-12-15-18(20(22)24-3)16-13-10-8-6-7-9-11-14-17-19(21)23-2/h10,13,18H,4-9,11-12,14-17H2,1-3H3/b13-10-
InChIKey NGNBRXMIZQHHKW-RAXLEYEMSA-N
Literature Reference DOI 10.1002/open.201800045
Molecular Weight 340.504 g/mol
SMILES CCCCCC(C\C=C/CCCCCCCC(=O)OC)C(=O)OC
SPLASH splash10-0159-9510000000-c2322c9779a027ca5bbe
Source of Spectrum CHO-7-338-1
Wiley ID 1813786