| SpectraBase Spectrum ID |
ElmWT6J2dhO |
| Name |
Sebacic acid, oct-3-en-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-4-6-7-12-15-19(3)25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-5-2/h12,15,19H,4-11,13-14,16-18H2,1-3H3/b15-12+ |
| InChIKey |
YRPOBCVGHAEKRL-NTCAYCPXSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCCCC(OC(C)\C=C\CCCC)=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962198 |
