| SpectraBase Spectrum ID |
KJkbQK8RzIB |
| Name |
N,N-Dimethyl-1-(2-bromo-4,5-dimethoxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.083391950 u |
| Formula |
C14H22BrNO2 |
| InChI |
InChI=1S/C14H22BrNO2/c1-6-11(16(2)3)7-10-8-13(17-4)14(18-5)9-12(10)15/h8-9,11H,6-7H2,1-5H3 |
| InChIKey |
UCIVCUQIZVFGGX-UHFFFAOYSA-N |
| Molecular Weight |
316.239 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)OC)Br)CC(N(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928189 |
