| SpectraBase Spectrum ID |
7eM7nIf4ulP |
| Name |
3-(2-Bromo-4,5-methylenedioxybenzyl)amino-5,5-dimethylcyclohex-2-en-1-one |
| Alternate Name(s) |
3-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]amino}-5,5-dimethyl-2-cyclohexen-1-one |
| CAS Registry Number |
67496-30-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18BrNO3 |
| InChI |
InChI=1S/C16H18BrNO3/c1-16(2)6-11(4-12(19)7-16)18-8-10-3-14-15(5-13(10)17)21-9-20-14/h3-5,18H,6-9H2,1-2H3 |
| InChIKey |
WSWPYAKDKVGZGB-UHFFFAOYSA-N |
| Molecular Weight |
352.228 g/mol |
| SMILES |
N(C1=CC(=O)CC(C1)(C)C)Cc1c(cc2c(c1)OCO2)Br |
| SPLASH |
splash10-00di-0090000000-823675d42422fdf3124e |
| Source of Spectrum |
J-44-1078-0 |
| Wiley ID |
1342487 |
