| SpectraBase Spectrum ID |
JsYqAfRACHo |
| Name |
Sebacic acid, butyl cis-non-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-3-5-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-6-4-2/h11,14H,3-10,12-13,15-21H2,1-2H3/b14-11- |
| InChIKey |
POOZEKMXNFQSNT-KAMYIIQDSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944308 |
