| SpectraBase Spectrum ID |
INdKKcLOHar |
| Name |
N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-ethoxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.168521876 u |
| Formula |
C13H24N2O5 |
| InChI |
InChI=1S/C13H24N2O5/c1-5-19-12(17)8-10(4)14-11(16)7-9(3)15-13(18)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,18)/t9-,10-/m0/s1 |
| InChIKey |
BTEPXCKICZYJCT-UWVGGRQHSA-N |
| SMILES |
C([C@](C)(NC(OCC)=O)[H])C(=O)N[C@](CC(=O)OCC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950542 |
![N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-ethoxycarbonyl-, ethyl ester](/api/spectrum/INdKKcLOHar/structure.png?h=300&w=458 "N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-ethoxycarbonyl-, ethyl ester")
