| SpectraBase Spectrum ID |
HZwY6wxnA9G |
| Name |
Sebacic acid, isohexyl 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/c1-5-6-11-16-24(19-21-29-4)22-31-26(28)18-13-10-8-7-9-12-17-25(27)30-20-14-15-23(2)3/h23-24H,5-22H2,1-4H3 |
| InChIKey |
SBTVYJPQFAIHKZ-UHFFFAOYSA-N |
| Molecular Weight |
442.681 g/mol |
| SMILES |
C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968422 |
