| SpectraBase Spectrum ID |
5NIMKbjFst5 |
| Name |
3-Adamantyl-5-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/c26-19-11-18(15-4-2-1-3-5-15)23-21-24(12-22-25(19)21)20-16-7-13-6-14(9-16)10-17(20)8-13/h1-5,11-14,16-17,20H,6-10H2/t13-,14+,16-,17+,20- |
| InChIKey |
ULKCLLBRUJPFJT-XKKMGGRISA-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(=CC2=O)C1=CC=CC=C1)[H])[H])[H] |
| SPLASH |
splash10-000l-7901000000-067b64021e77a385b3ac |
| Source of Spectrum |
CAJ-18-SM8-13c (DOI: 10.1002/asia.202201306) |
| Wiley ID |
1901164 |
![3-Adamantyl-5-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one](/api/spectrum/5NIMKbjFst5/structure.png?h=300&w=458 "3-Adamantyl-5-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one")
