| SpectraBase Spectrum ID |
7NGiL35zaU3 |
| Name |
Sebacic acid, isohexyl 4-methoxy-2-methylbutyl 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/c1-19(2)12-11-16-26-21(23)13-9-7-5-6-8-10-14-22(24)27-18-20(3)15-17-25-4/h19-20H,5-18H2,1-4H3 |
| InChIKey |
DOUKKXLHMOXFNX-UHFFFAOYSA-N |
| Molecular Weight |
386.573 g/mol |
| SMILES |
C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927952 |
