| SpectraBase Spectrum ID |
C8I5XnqP5Dc |
| Name |
2-Adamantanyl-7-phenyl-3-phenylcarbamothioyl-1,2,4-triazolo[4,3-a]pyrimidin-2-ium-5-olate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.193631682 u |
| Formula |
C28H27N5OS |
| InChI |
InChI=1S/C28H27N5OS/c34-24-14-23(21-7-3-1-4-8-21)30-27-31-33(28-15-18-11-19(16-28)13-20(12-18)17-28)26(32(24)27)25(35)29-22-9-5-2-6-10-22/h1-10,14,18-20H,11-13,15-17H2,(H-,29,30,31,34,35) |
| InChIKey |
JRMXEIAGZARHOX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201306 |
| Molecular Weight |
481.618 g/mol |
| Quality |
362 |
| Reported Formula |
C28H27N5OS |
| SMILES |
N(C(C1=[N+](C23CC4CC(CC(C3)C4)C2)N=C2N=C(C=C(N12)[O-])C1=CC=CC=C1)=S)C1=CC=CC=C1 |
| SPLASH |
splash10-002u-9701300000-85f5c2e01c051e78d92c |
| Source of Spectrum |
CAJ-18-SM13-21c (DOI: 10.1002/asia.202201306) |
| Wiley ID |
1901178 |
![2-Adamantanyl-7-phenyl-3-phenylcarbamothioyl-1,2,4-triazolo[4,3-a]pyrimidin-2-ium-5-olate](/api/spectrum/C8I5XnqP5Dc/structure.png?h=300&w=458 "2-Adamantanyl-7-phenyl-3-phenylcarbamothioyl-1,2,4-triazolo[4,3-a]pyrimidin-2-ium-5-olate")
