| SpectraBase Compound ID | Kwo4Ca2b8WF |
|---|---|
| InChI | InChI=1S/C14H22BrNO2/c1-5-16(6-2)8-7-11-9-13(17-3)14(18-4)10-12(11)15/h9-10H,5-8H2,1-4H3 |
| InChIKey | PRGRCFNVKYVXAM-UHFFFAOYSA-N |
| Mol Weight | 316.24 g/mol |
| Molecular Formula | C14H22BrNO2 |
| Exact Mass | 315.083392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ergcMxjEZd |
|---|---|
| Name | N,N-Diethyl-2-bromo-4,5-dimethoxyphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.083391950 u |
| Formula | C14H22BrNO2 |
| InChI | InChI=1S/C14H22BrNO2/c1-5-16(6-2)8-7-11-9-13(17-3)14(18-4)10-12(11)15/h9-10H,5-8H2,1-4H3 |
| InChIKey | PRGRCFNVKYVXAM-UHFFFAOYSA-N |
| Molecular Weight | 316.239 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CCN(CC)CC |