| SpectraBase Spectrum ID |
iMTZeoOQ3 |
| Name |
Pimelic acid, ethyl 3-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.256274254 u |
| Formula |
C19H36O5 |
| InChI |
InChI=1S/C19H36O5/c1-4-6-10-17(13-15-22-3)14-16-24-19(21)12-9-7-8-11-18(20)23-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
AGYWDMSPJSOAIZ-UHFFFAOYSA-N |
| Molecular Weight |
344.492 g/mol |
| SMILES |
C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912584 |
