| SpectraBase Spectrum ID |
B9E2jI52IMb |
| Name |
Sebacic acid, 5-methoxy-3-methylpentyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.303224447 u |
| Formula |
C22H42O5 |
| InChI |
InChI=1S/C22H42O5/c1-4-5-12-17-26-21(23)13-10-8-6-7-9-11-14-22(24)27-19-16-20(2)15-18-25-3/h20H,4-19H2,1-3H3 |
| InChIKey |
FJBBZPLTEGGGIB-UHFFFAOYSA-N |
| Molecular Weight |
386.573 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCCC)=O)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904898 |
