| SpectraBase Spectrum ID |
67QXkWrnJHy |
| Name |
Sebacic acid, geranyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-5-18-26-22(24)15-10-8-6-7-9-11-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,17H,5-12,14-16,18-19H2,1-4H3/b21-17+ |
| InChIKey |
NHDOBNIBFGIIHE-HEHNFIMWSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CCCCC(OC\C=C/(C)CCC=C(C)C)=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986706 |
