| SpectraBase Spectrum ID |
29M9fH460af |
| Name |
Pimelic acid, 3-(2-methoxyethyl)heptyl pentyl 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/c1-4-6-11-17-26-21(23)13-9-8-10-14-22(24)27-19-16-20(12-7-5-2)15-18-25-3/h20H,4-19H2,1-3H3 |
| InChIKey |
PDUWWTGAKZWWFM-UHFFFAOYSA-N |
| Molecular Weight |
386.573 g/mol |
| SMILES |
C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880519 |
