| SpectraBase Compound ID | KKYL9HmrE5H |
|---|---|
| InChI | InChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12-9-11(14)15-2/h3-9H2,1-2H3,(H,12,13) |
| InChIKey | KJKMMCRBNDERQO-UHFFFAOYSA-N |
| Mol Weight | 215.29 g/mol |
| Molecular Formula | C11H21NO3 |
| Exact Mass | 215.152144 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ji5XgmYKfC |
|---|---|
| Name | Glycine, N-capryloyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.152143537 u |
| Formula | C11H21NO3 |
| InChI | InChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12-9-11(14)15-2/h3-9H2,1-2H3,(H,12,13) |
| InChIKey | KJKMMCRBNDERQO-UHFFFAOYSA-N |
| Molecular Weight | 215.293 g/mol |
| SMILES | CCCCCCCC(NCC(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898689 |