| SpectraBase Spectrum ID |
D9WbwNXNYa1 |
| Name |
3-(4-Chloro-phenyl)-6-phenyl-[1,2,4]triazine-5-carboxylic acid adamantan-1-ylamide |
| Alternate Name(s) |
3-(p-Chlorophenyl)-6-phenyl-3-[(N-adamantylamino)carbonyl]-1,2,4-triazine
N-(1-adamantyl)-3-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-5-carboxamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H25ClN4O |
| InChI |
InChI=1S/C26H25ClN4O/c27-21-8-6-20(7-9-21)24-28-23(22(30-31-24)19-4-2-1-3-5-19)25(32)29-26-13-16-10-17(14-26)12-18(11-16)15-26/h1-9,16-18H,10-15H2,(H,29,32)/t16-,17+,18-,26- |
| InChIKey |
HSJROXOWCNYLAE-VKWXMXRMSA-N |
| Molecular Weight |
444.966 g/mol |
| SMILES |
N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(c1nc(-c2ccc(cc2)Cl)nnc1-c1ccccc1)=O |
| SPLASH |
splash10-0007-0000900000-044a2508ea053c82b93e |
| Source of Spectrum |
MN-200-118-3 |
| Wiley ID |
1546422 |
![3-(4-Chloro-phenyl)-6-phenyl-[1,2,4]triazine-5-carboxylic acid adamantan-1-ylamide](/api/spectrum/D9WbwNXNYa1/structure.png?h=300&w=458 "3-(4-Chloro-phenyl)-6-phenyl-[1,2,4]triazine-5-carboxylic acid adamantan-1-ylamide")
