| SpectraBase Compound ID | HbguFCWV465 |
|---|---|
| InChI | InChI=1S/C9H19NO2/c1-7(2)6-8(10(3)4)9(11)12-5/h7-8H,6H2,1-5H3 |
| InChIKey | NGEXMRFYCIIHBJ-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C9H19NO2 |
| Exact Mass | 173.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5K8w3bKuKYH |
|---|---|
| Name | L-Leucine, N,N-dimethyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.141578854 u |
| Formula | C9H19NO2 |
| InChI | InChI=1S/C9H19NO2/c1-7(2)6-8(10(3)4)9(11)12-5/h7-8H,6H2,1-5H3 |
| InChIKey | NGEXMRFYCIIHBJ-UHFFFAOYSA-N |
| Molecular Weight | 173.256 g/mol |
| SMILES | C(CC(C(=O)OC)N(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911613 |