| SpectraBase Spectrum ID |
5bMYBftmNoy |
| Name |
N-(Tert-butyloxycarbonyl)-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 |
243.147058156 u |
| Formula |
C12H21NO4 |
| InChI |
InChI=1S/C12H21NO4/c1-7-8(2)12(7,9(14)16-6)13-10(15)17-11(3,4)5/h7-8H,1-6H3,(H,13,15)/t7-,8-/m1/s1 |
| InChIKey |
MPYUEWWSNQXAAU-HTQZYQBOSA-N |
| Molecular Weight |
243.303 g/mol |
| SMILES |
C1([C@](C)([C@]1(C)[H])[H])(NC(OC(C)(C)C)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970321 |
