| SpectraBase Spectrum ID |
9japxHTF5Hi |
| Name |
N-(2'-cyano-3',4',5'-trimethylbenzyl)-2,4,6-trimethylbenzamide |
| Comments |
Note: The molecular formula of the structure shown is C21H24N2O - which differs from the formula reported for the mass spectrum (C22H26N2O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26N2O |
| InChI |
InChI=1S/C21H24N2O/c1-12-7-14(3)20(15(4)8-12)21(24)23-11-18-9-13(2)16(5)17(6)19(18)10-22/h7-9H,11H2,1-6H3,(H,23,24) |
| InChIKey |
CSYMUDJFQIQAOS-UHFFFAOYSA-N |
| Molecular Weight |
320.436 g/mol |
| SMILES |
N(C(c1c(cc(cc1C)C)C)=O)Cc1c(c(c(c(c1)C)C)C)C#N |
| SPLASH |
splash10-03di-0902000000-5cd6cd8df7d442b53f48 |
| Source of Spectrum |
O1-32-1456-6 |
| Wiley ID |
819086 |
