| SpectraBase Spectrum ID |
3JrJsPQgU9V |
| Name |
Adamantyl-6-phenyl-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 |
346.179361343 u |
| Formula |
C21H22N4O |
| InChI |
InChI=1S/C21H22N4O/c26-20-18(15-4-2-1-3-5-15)11-22-21-24(12-23-25(20)21)19-16-7-13-6-14(9-16)10-17(19)8-13/h1-5,11-14,16-17,19H,6-10H2/t13-,14+,16-,17+,19- |
| InChIKey |
ISIWJICOQKPHSE-DSSOBMNOSA-N |
| Instrument Name |
Shimadzu GCMS-QP 2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201306 |
| Molecular Weight |
346.434 g/mol |
| Quality |
270 |
| Reported Formula |
C21H22N4O |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C([C@](C1)(C3)[H])N1C=NN2C1=NC=C(C2=O)C1=CC=CC=C1)[H])[H])[H] |
| SPLASH |
splash10-000l-8901000000-20a758e197538700f372 |
| Source of Spectrum |
CAJ-18-SM7-13b (DOI: 10.1002/asia.202201306) |
| Wiley ID |
1901163 |
![Adamantyl-6-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one](/api/spectrum/3JrJsPQgU9V/structure.png?h=300&w=458 "Adamantyl-6-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one")
