| SpectraBase Spectrum ID |
I3BfMYtCxg9 |
| Name |
Sebacic acid, but-3-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/h3H,1,4-16H2,2H3 |
| InChIKey |
CFQRQXCPTSJENS-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCOC(CCCCCCCCC(OCCCC)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979364 |
