| SpectraBase Spectrum ID |
GTcgnGKHjhV |
| Name |
4-Bromo-N-(6'-cyano-2',4',6'-trimethyl-3'-bromobenzyl)-2,3,5,6-tetramethylbenzamide |
| Comments |
Note: The molecular formula of the structure shown is C22H25Br2N2O - which differs from the formula reported for the mass spectrum (C22H24Br2N2O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24Br2N2O |
| InChI |
InChI=1S/C22H25Br2N2O/c1-11-8-22(7,10-25)17(16(6)19(11)23)9-26-21(27)18-12(2)14(4)20(24)15(5)13(18)3/h8H,9H2,1-7H3,(H,26,27) |
| InChIKey |
SLLDFCLCUMQKKX-UHFFFAOYSA-N |
| Molecular Weight |
493.263 g/mol |
| SMILES |
N(C(c1c(c(c(c(c1C)C)Br)C)C)=O)Cc1c(c(c(c[c]1(C)C#N)C)Br)C |
| SPLASH |
splash10-03e9-0045900000-a84a042c394699813e18 |
| Source of Spectrum |
O1-32-1456-6 |
| Wiley ID |
819083 |
