| SpectraBase Spectrum ID |
5Ox42So4mBi |
| Name |
(2'Z)-2-(2'-Octenyl)-decane-1,10-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/c1-4-5-6-7-9-12-15-18(20(22)24-3)16-13-10-8-11-14-17-19(21)23-2/h9,12,18H,4-8,10-11,13-17H2,1-3H3/b12-9- |
| InChIKey |
DMFUZTAQSOBVDP-XFXZXTDPSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(\C=C/CCCCC)C(CCCCCCCC(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962466 |
