| SpectraBase Compound ID | GCSOVoAa546 |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3 |
| InChIKey | VLPIATFUUWWMKC-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | APGd86OHjed |
|---|---|
| Name | Mexiletine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3 |
| InChIKey | VLPIATFUUWWMKC-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | NC(COC=1C(=CC=CC1C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.929825 |