| SpectraBase Compound ID | FOHHBMvMI5j |
|---|---|
| InChI | InChI=1S/C10H21NO2/c1-3-4-5-6-7-11-8-9(2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13) |
| InChIKey | QHHHKXVIJMTIPP-UHFFFAOYSA-N |
| Mol Weight | 187.28 g/mol |
| Molecular Formula | C10H21NO2 |
| Exact Mass | 187.157229 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G80d0oGIBJO |
|---|---|
| Name | N-Hexyl-2-methyl-beta-alanine |
| 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/c1-3-4-5-6-7-11-8-9(2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13) |
| InChIKey | QHHHKXVIJMTIPP-UHFFFAOYSA-N |
| Molecular Weight | 187.283 g/mol |
| SMILES | N(CCCCCC)CC(C(O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.972343 |