| SpectraBase Compound ID | 1zzgtyYupQP |
|---|---|
| InChI | InChI=1S/C10H21NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h8-9,11H,5-7H2,1-4H3 |
| InChIKey | XCEJVJJIIATAEI-UHFFFAOYSA-N |
| Mol Weight | 187.28 g/mol |
| Molecular Formula | C10H21NO2 |
| Exact Mass | 187.157229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FdVpknvduAU |
|---|---|
| Name | L-Leucine, N-(N-propyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.157228918 u |
| Formula | C10H21NO2 |
| InChI | InChI=1S/C10H21NO2/c1-5-6-11-9(7-8(2)3)10(12)13-4/h8-9,11H,5-7H2,1-4H3 |
| InChIKey | XCEJVJJIIATAEI-UHFFFAOYSA-N |
| Molecular Weight | 187.283 g/mol |
| SMILES | COC(C(CC(C)C)NCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950865 |