| SpectraBase Compound ID | GwdqXowBjl2 |
|---|---|
| InChI | InChI=1S/C10H19NO3/c1-4-5-6-7-9(12)11-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12) |
| InChIKey | ZHXNJDXOOUINCL-UHFFFAOYSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C10H19NO3 |
| Exact Mass | 201.136493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1bXA6Co99V2 |
|---|---|
| Name | L-Alanine, N-caproyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.136493473 u |
| Formula | C10H19NO3 |
| InChI | InChI=1S/C10H19NO3/c1-4-5-6-7-9(12)11-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12) |
| InChIKey | ZHXNJDXOOUINCL-UHFFFAOYSA-N |
| Molecular Weight | 201.266 g/mol |
| SMILES | CCCCCC(NC(C)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917966 |