| SpectraBase Compound ID | 3M40huCkd6y |
|---|---|
| InChI | InChI=1S/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H |
| InChIKey | OOQWOQSMHKWCEB-UHFFFAOYSA-N |
| Mol Weight | 227.73 g/mol |
| Molecular Formula | C12H18ClNO |
| Exact Mass | 227.107692 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2zo1kAjgf0 |
|---|---|
| Name | Phendimetrazine HC l inkbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.107691903 u |
| Formula | C12H18ClNO |
| InChI | InChI=1S/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H |
| InChIKey | OOQWOQSMHKWCEB-UHFFFAOYSA-N |
| Molecular Weight | 227.735 g/mol |
| SMILES | C1=CC=C(C2OCCN(C2C)C)C=C1.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.982102 |