| SpectraBase Spectrum ID |
4V9LcIFNrO |
| Name |
4-(3-Carboxy-propionyl)-piperazine-1-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.152871811 u |
| Formula |
C13H22N2O5 |
| InChI |
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15-8-6-14(7-9-15)10(16)4-5-11(17)18/h4-9H2,1-3H3,(H,17,18) |
| InChIKey |
ZLNADSVMXTWJPD-UHFFFAOYSA-N |
| SMILES |
C(N1CCN(CC1)C(=O)CCC(=O)O)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860018 |
