| SpectraBase Compound ID | EWJ4biYJvBS |
|---|---|
| InChI | InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10) |
| InChIKey | KSPIYJQBLVDRRI-UHFFFAOYSA-N |
| Mol Weight | 145.2 g/mol |
| Molecular Formula | C7H15NO2 |
| Exact Mass | 145.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JHkpvs8ME3s |
|---|---|
| Name | N-Methylisoleucine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.110278725 u |
| Formula | C7H15NO2 |
| InChI | InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10) |
| InChIKey | KSPIYJQBLVDRRI-UHFFFAOYSA-N |
| Molecular Weight | 145.202 g/mol |
| SMILES | C(=O)(O)C(C(CC)C)NC |
| Spectrum/Structure Validation Score (Raman) | 0.984523 |