| SpectraBase Spectrum ID |
22C7HJKHAXy |
| Name |
Sebacic acid, hexyl 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 |
442.365824705 u |
| Formula |
C26H50O5 |
| InChI |
InChI=1S/C26H50O5/c1-4-6-8-16-21-30-25(27)18-14-11-9-10-12-15-19-26(28)31-23-24(20-22-29-3)17-13-7-5-2/h24H,4-23H2,1-3H3 |
| InChIKey |
LTHIPXMXHIVKAD-UHFFFAOYSA-N |
| Molecular Weight |
442.681 g/mol |
| SMILES |
C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886143 |
