| SpectraBase Spectrum ID |
Il1tB55lbgU |
| Name |
(1R,2R)-2-(Acetoxymethyl)-1-carbamoyl-cyclopropanecarboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.126322711 u |
| Formula |
C12H19NO5 |
| InChI |
InChI=1S/C12H19NO5/c1-7(14)17-6-8-5-12(8,9(13)15)10(16)18-11(2,3)4/h8H,5-6H2,1-4H3,(H2,13,15)/t8-,12+/m0/s1 |
| InChIKey |
QZDFXYTZVCQXLT-QPUJVOFHSA-N |
| Molecular Weight |
257.286 g/mol |
| SMILES |
[C@]1([C@](COC(=O)C)(C1)[H])(C(OC(C)(C)C)=O)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838976 |
