| SpectraBase Compound ID | 6PM5WCSYQkY |
|---|---|
| InChI | InChI=1S/C18H22BrNO2/c1-13(20-12-14-7-5-4-6-8-14)9-15-10-17(21-2)18(22-3)11-16(15)19/h4-8,10-11,13,20H,9,12H2,1-3H3 |
| InChIKey | NCILVEHDCGATRD-UHFFFAOYSA-N |
| Mol Weight | 364.28 g/mol |
| Molecular Formula | C18H22BrNO2 |
| Exact Mass | 363.083392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AOCTdoS1G8k |
|---|---|
| Name | N-Benzyl-2-bromo-4,5-dimethoxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.083391950 u |
| Formula | C18H22BrNO2 |
| InChI | InChI=1S/C18H22BrNO2/c1-13(20-12-14-7-5-4-6-8-14)9-15-10-17(21-2)18(22-3)11-16(15)19/h4-8,10-11,13,20H,9,12H2,1-3H3 |
| InChIKey | NCILVEHDCGATRD-UHFFFAOYSA-N |
| Molecular Weight | 364.283 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CC(NCC=1C=CC=CC1)C |