| SpectraBase Spectrum ID |
6TrGDoGKBsF |
| Name |
9-(1,3-Dimethyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.209992767 u |
| Formula |
C22H28N2O3 |
| InChI |
InChI=1S/C22H28N2O3/c1-12-13(11-24(6)23-12)18-19-14(25)7-21(2,3)9-16(19)27-17-10-22(4,5)8-15(26)20(17)18/h11,18H,7-10H2,1-6H3 |
| InChIKey |
MCZONXUFVCAPTK-UHFFFAOYSA-N |
| Molecular Weight |
368.477 g/mol |
| SMILES |
C=1(C2C3=C(CC(CC3=O)(C)C)OC3=C2C(CC(C)(C)C3)=O)C(=NN(C1)C)C |
