| SpectraBase Spectrum ID |
3dmxKhcHHAO |
| Name |
(4Z)-2-Pentyl-4-tridecene-1,13-dioic acid (dimethyl ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| 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 |
| Molecular Weight |
340.504 g/mol |
| SMILES |
CCCCCC(C\C=C/CCCCCCCC(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919246 |
