| SpectraBase Spectrum ID |
7CFbC125As0 |
| Name |
2-(1-Aminocyclopropyl)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.115758027 u |
| Formula |
C10H17NO4 |
| InChI |
InChI=1S/C10H17NO4/c1-3-14-8(12)7(9(13)15-4-2)10(11)5-6-10/h7H,3-6,11H2,1-2H3 |
| InChIKey |
LGYYLKSBQQVYMA-UHFFFAOYSA-N |
| Molecular Weight |
215.249 g/mol |
| SMILES |
C(C(C(=O)OCC)C1(CC1)N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986859 |
