| SpectraBase Compound ID | EigFjWRLQq8 |
|---|---|
| InChI | InChI=1S/C11H23NO2/c1-4-5-6-7-8-12-10(2)9-11(13)14-3/h10,12H,4-9H2,1-3H3 |
| InChIKey | FPVYOYUZEHRLDK-UHFFFAOYSA-N |
| Mol Weight | 201.31 g/mol |
| Molecular Formula | C11H23NO2 |
| Exact Mass | 201.172879 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2xA3pm93gbX |
|---|---|
| Name | Methyl 3-(hexylamino)butanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.172878983 u |
| Formula | C11H23NO2 |
| InChI | InChI=1S/C11H23NO2/c1-4-5-6-7-8-12-10(2)9-11(13)14-3/h10,12H,4-9H2,1-3H3 |
| InChIKey | FPVYOYUZEHRLDK-UHFFFAOYSA-N |
| Molecular Weight | 201.310 g/mol |
| SMILES | C(CC(NCCCCCC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801775 |