| SpectraBase Spectrum ID |
2DLr7yPcJYc |
| Name |
Sebacic acid, butyl 5-methoxy-3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.287574383 u |
| Formula |
C21H40O5 |
| InChI |
InChI=1S/C21H40O5/c1-4-5-16-25-20(22)12-10-8-6-7-9-11-13-21(23)26-18-15-19(2)14-17-24-3/h19H,4-18H2,1-3H3 |
| InChIKey |
VVVRUCMJQKTYSF-UHFFFAOYSA-N |
| Molecular Weight |
372.546 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCC)=O)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954258 |
