| SpectraBase Spectrum ID |
HhtWHO28PBm |
| Name |
.Gamma.-dl-methyl-D-glutamyl-N-butylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.147392509 u |
| Formula |
C10H20N2O3 |
| InChI |
InChI=1S/C10H20N2O3/c1-3-4-5-12-9(13)7(2)6-8(11)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1 |
| InChIKey |
XLJQURYBYZCNOC-BRFYHDHCSA-N |
| Molecular Weight |
216.281 g/mol |
| SMILES |
CC(C[C@@](N)(C(O)=O)[H])C(NCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844095 |
