| SpectraBase Spectrum ID |
9h9KinyIf7n |
| Name |
3-Adamantyl-5-methyl-6-bromo-1,2,4-triazolo[1,5-a]pyrimidin-7-one |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.074224247 u |
| Formula |
C16H19BrN4O |
| InChI |
InChI=1S/C16H19BrN4O/c1-8-13(17)15(22)21-16(19-8)20(7-18-21)14-11-3-9-2-10(5-11)6-12(14)4-9/h7,9-12,14H,2-6H2,1H3/t9-,10+,11-,12+,14- |
| InChIKey |
LBMLYEZYMLWCDU-AOJFOUJGSA-N |
| Instrument Name |
Shimadzu GCMS-QP 2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201306 |
| Molecular Weight |
363.259 g/mol |
| Quality |
316 |
| Reported Formula |
C16H19BrN4O |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C([C@](C1)(C3)[H])N1C=NN2C1=NC(=C(C2=O)Br)C)[H])[H])[H] |
| SPLASH |
splash10-000l-9800000000-cd4f9f62cf82474918f1 |
| Source of Spectrum |
CAJ-18-SM9-13f (DOI: 10.1002/asia.202201306) |
| Wiley ID |
1901167 |
![3-Adamantyl-5-methyl-6-bromo-1,2,4-triazolo[1,5-a]pyrimidin-7-one](/api/spectrum/9h9KinyIf7n/structure.png?h=300&w=458 "3-Adamantyl-5-methyl-6-bromo-1,2,4-triazolo[1,5-a]pyrimidin-7-one")
