| SpectraBase Spectrum ID |
2QCHtgksYFs |
| Name |
2-(2-Bromo-4,5-methylenedioxybenzyl)-3-aminocyclohex-2-en-1-one |
| Alternate Name(s) |
3-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-cyclohexen-1-one |
| CAS Registry Number |
68890-25-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14BrNO3 |
| InChI |
InChI=1S/C14H14BrNO3/c15-10-6-14-13(18-7-19-14)5-8(10)4-9-11(16)2-1-3-12(9)17/h5-6H,1-4,7,16H2 |
| InChIKey |
MXPSBZBUJSKCIN-UHFFFAOYSA-N |
| Molecular Weight |
324.174 g/mol |
| SMILES |
NC1=C(Cc2c(cc3c(c2)OCO3)Br)C(=O)CCC1 |
| SPLASH |
splash10-001i-0930000000-7c163c327b43ef0b962e |
| Source of Spectrum |
J-44-1078-0 |
| Wiley ID |
1322305 |
