| SpectraBase Compound ID | Kuw5aveA2lH |
|---|---|
| InChI | InChI=1S/C16H29N3O5/c1-9(2)7-12(15(22)17-8-13(21)24-6)19-16(23)14(10(3)4)18-11(5)20/h9-10,12,14H,7-8H2,1-6H3,(H,17,22)(H,18,20)(H,19,23) |
| InChIKey | KGIAKTQRGZGRTM-UHFFFAOYSA-N |
| Mol Weight | 343.42 g/mol |
| Molecular Formula | C16H29N3O5 |
| Exact Mass | 343.210721 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AKnIMI2ATN2 |
|---|---|
| Name | N-Acetyl-valyl-leucyl-glycine methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.210721041 u |
| Formula | C16H29N3O5 |
| InChI | InChI=1S/C16H29N3O5/c1-9(2)7-12(15(22)17-8-13(21)24-6)19-16(23)14(10(3)4)18-11(5)20/h9-10,12,14H,7-8H2,1-6H3,(H,17,22)(H,18,20)(H,19,23) |
| InChIKey | KGIAKTQRGZGRTM-UHFFFAOYSA-N |
| Molecular Weight | 343.424 g/mol |
| SMILES | C(CNC(C(NC(C(NC(=O)C)C(C)C)=O)CC(C)C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905205 |