| SpectraBase Spectrum ID |
FL6BYRqpXlM |
| Name |
Sebacic acid, butyl 3-methylbut-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-5-15-22-18(20)12-10-8-6-7-9-11-13-19(21)23-16-14-17(2)3/h14H,4-13,15-16H2,1-3H3 |
| InChIKey |
BACNIACDBAYFEW-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCC)=O)(OCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986499 |
