| SpectraBase Spectrum ID |
4w0JqNAKAMS |
| Name |
Piperazine-1-carboxylic acid, 4-(3-amino-3-oxopropyl)-, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.173941610 u |
| Formula |
C12H23N3O3 |
| InChI |
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-8-6-14(7-9-15)5-4-10(13)16/h4-9H2,1-3H3,(H2,13,16) |
| InChIKey |
LUHHTDIIQGBZCV-UHFFFAOYSA-N |
| Molecular Weight |
257.334 g/mol |
| SMILES |
C(N)(=O)CCN1CCN(C(OC(C)(C)C)=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956338 |
