| SpectraBase Spectrum ID |
Jfe0LCC7w9m |
| Name |
3,5-Dioxypimelic acid - methyl ester - ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.079038165 u |
| Formula |
C10H14O6 |
| InChI |
InChI=1S/C10H14O6/c1-3-16-10(14)6-8(12)4-7(11)5-9(13)15-2/h3-6H2,1-2H3 |
| InChIKey |
VKCGQWQVKMYHAZ-UHFFFAOYSA-N |
| Molecular Weight |
230.216 g/mol |
| SMILES |
C(C(=O)OCC)C(CC(CC(=O)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943254 |
