| SpectraBase Spectrum ID |
HyWpxoVvngg |
| Name |
N-(Tert-butyloxycarbonyl)-(.beta.-tert-butyl ester)-L-aspartyl-1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.236601436 u |
| Formula |
C20H34N2O7 |
| InChI |
InChI=1S/C20H34N2O7/c1-11-12(2)20(11,16(25)27-9)22-15(24)13(10-14(23)28-18(3,4)5)21-17(26)29-19(6,7)8/h11-13H,10H2,1-9H3,(H,21,26)(H,22,24) |
| InChIKey |
MLBJUIRAMMTMGV-UHFFFAOYSA-N |
| Molecular Weight |
414.499 g/mol |
| SMILES |
C1(C(C)C1C)(NC(C(CC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954145 |
