| SpectraBase Compound ID | 8KdDkf449gL |
|---|---|
| InChI | InChI=1S/C13H23N3O5/c1-7(2)11(16-9(4)17)13(20)15-8(3)12(19)14-6-10(18)21-5/h7-8,11H,6H2,1-5H3,(H,14,19)(H,15,20)(H,16,17) |
| InChIKey | LISVXPDUUDDSQY-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C13H23N3O5 |
| Exact Mass | 301.163771 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AyyjU6jgkBl |
|---|---|
| Name | N-Acetyl-valyl-alanyl-glycine methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.163770848 u |
| Formula | C13H23N3O5 |
| InChI | InChI=1S/C13H23N3O5/c1-7(2)11(16-9(4)17)13(20)15-8(3)12(19)14-6-10(18)21-5/h7-8,11H,6H2,1-5H3,(H,14,19)(H,15,20)(H,16,17) |
| InChIKey | LISVXPDUUDDSQY-UHFFFAOYSA-N |
| SMILES | C(CNC(C(NC(C(NC(=O)C)C(C)C)=O)C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958941 |