| SpectraBase Spectrum ID |
6HxYVRPUzIv |
| Name |
Tris(4-adamantylpyrazolyl-1-yl)-1,3,5-triazine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H51N9 |
| InChI |
InChI=1S/C42H51N9/c1-25-2-27-3-26(1)11-40(10-25,12-27)34-19-43-49(22-34)37-46-38(50-23-35(20-44-50)41-13-28-4-29(14-41)6-30(5-28)15-41)48-39(47-37)51-24-36(21-45-51)42-16-31-7-32(17-42)9-33(8-31)18-42/h19-33H,1-18H2/t25-,26+,27-,28-,29+,30-,31?,32?,33?,40-,41-,42? |
| InChIKey |
GLQHQVVDZUYAPX-RPCFTITBSA-N |
| Molecular Weight |
681.933 g/mol |
| SMILES |
c1(nc(-[n]2ncc(C34CC5CC(C4)CC(C3)C5)c2)nc(n1)-[n]1ncc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])c1)-[n]1ncc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])c1 |
| SPLASH |
splash10-000t-0900006000-512fc95ba81c290b70c5 |
| Source of Spectrum |
O1-55-920-5 |
| Synonyms |
2,4,6-tris[4-(1-adamantyl)-1H-pyrazol-1-yl]-1,3,5-triazine |
| Wiley ID |
1591238 |
