| SpectraBase Spectrum ID |
A7XfH6o5LJl |
| Name |
Sebacic acid, isobutyl 2-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.334524576 u |
| Formula |
C24H46O5 |
| InChI |
InChI=1S/C24H46O5/c1-5-6-11-14-22(17-18-27-4)20-29-24(26)16-13-10-8-7-9-12-15-23(25)28-19-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey |
KEMIPQUGRUZJIU-UHFFFAOYSA-N |
| Molecular Weight |
414.627 g/mol |
| SMILES |
C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984564 |
