| SpectraBase Spectrum ID |
4xp4JVZ4GkH |
| Name |
Diethylmalonic acid, heptadecyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.381474769 u |
| Formula |
C27H52O5 |
| InChI |
InChI=1S/C27H52O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)27(6-2,7-3)26(29)32-24-23-30-4/h5-24H2,1-4H3 |
| InChIKey |
UXJNCVMBZHPGAZ-UHFFFAOYSA-N |
| Molecular Weight |
456.708 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923672 |
