| SpectraBase Spectrum ID |
7LH9AA1izNp |
| Name |
Sebacic acid, isohexyl 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 |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-20(2)12-11-17-27-22(24)13-9-7-5-6-8-10-14-23(25)28-19-16-21(3)15-18-26-4/h20-21H,5-19H2,1-4H3 |
| InChIKey |
IMIARUQZYSFUQV-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCC(C)C)=O)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916942 |
