| SpectraBase Compound ID | 7JLbCG2gOlw |
|---|---|
| InChI | InChI=1S/C12H19NO2.ClH/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2;/h7-8H,4-6,13H2,1-3H3;1H |
| InChIKey | CTDRFXSMYFXGIH-UHFFFAOYSA-N |
| Mol Weight | 245.75 g/mol |
| Molecular Formula | C12H20ClNO2 |
| Exact Mass | 245.118257 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8u8gwBUfx4B |
|---|---|
| Name | 2C-E Hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.118256586 u |
| Formula | C12H20ClNO2 |
| InChI | InChI=1S/C12H19NO2.ClH/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2;/h7-8H,4-6,13H2,1-3H3;1H |
| InChIKey | CTDRFXSMYFXGIH-UHFFFAOYSA-N |
| SMILES | Cl.NCCC1=C(C=C(C(=C1)OC)CC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.940279 |