| SpectraBase Spectrum ID |
Ftjsjgj3n5J |
| Name |
Sebacic acid, but-2-enyl butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3,5H,4,6-16H2,1-2H3/b5-3+ |
| InChIKey |
WIYFZCOQXRPAMT-HWKANZROSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCCCCCCCC(OC\C=C\C)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98558 |
