| SpectraBase Compound ID | 7Rd0IShRqMf |
|---|---|
| InChI | InChI=1S/C10H14BrNO2.ClH/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12;/h5-6H,3-4,12H2,1-2H3;1H |
| InChIKey | UJTWHDAMHSIRDK-UHFFFAOYSA-N |
| Mol Weight | 296.59 g/mol |
| Molecular Formula | C10H15BrClNO2 |
| Exact Mass | 294.997469 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | e5gDlbKHhU |
|---|---|
| Name | 2C-B Hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.997469425 u |
| Formula | C10H15BrClNO2 |
| InChI | InChI=1S/C10H14BrNO2.ClH/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12;/h5-6H,3-4,12H2,1-2H3;1H |
| InChIKey | UJTWHDAMHSIRDK-UHFFFAOYSA-N |
| SMILES | Cl.NCCC1=C(C=C(C(=C1)OC)Br)OC |
| Spectrum/Structure Validation Score (Raman) | 0.908193 |