| SpectraBase Compound ID | 5QVzQTY1Rnl |
|---|---|
| InChI | InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12) |
| InChIKey | DBJPZCJQDRPOME-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C9H16N2O2 |
| Exact Mass | 184.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Hr1hAoKREE |
|---|---|
| Name | ll-Cyclo-alanyl-leucyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.121177761 u |
| Formula | C9H16N2O2 |
| InChI | InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12) |
| InChIKey | DBJPZCJQDRPOME-UHFFFAOYSA-N |
| Molecular Weight | 184.239 g/mol |
| SMILES | C1(NC(C(NC1C)=O)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942942 |