| SpectraBase Spectrum ID |
FLYyjKXaNzX |
| Name |
Methyl (1S,2R)-(-)-1-N-tert-butyloxycarbonylamino-2-ethylcyclopropanecarboxylate- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.147058156 u |
| Formula |
C12H21NO4 |
| InChI |
InChI=1S/C12H21NO4/c1-6-8-7-12(8,9(14)16-5)13-10(15)17-11(2,3)4/h8H,6-7H2,1-5H3,(H,13,15)/t8-,12+/m1/s1 |
| InChIKey |
HNHXMPOAAQHGMY-PELKAZGASA-N |
| Molecular Weight |
243.303 g/mol |
| SMILES |
[C@]1(C[C@]1(CC)[H])(NC(OC(C)(C)C)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96655 |
