| SpectraBase Spectrum ID |
3kuRGd3bzq2 |
| Name |
Methyl 4-methyl-2-(5-methyl-1-oxo-1,3,4',5'-tetrahydrospiro[indene-2,3'-pyrazol]-4'-yl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.147392509 u |
| Formula |
C21H20N2O3 |
| InChI |
InChI=1S/C21H20N2O3/c1-12-4-6-15-14(8-12)10-21(19(15)24)18(11-22-23-21)17-9-13(2)5-7-16(17)20(25)26-3/h4-9,18H,10-11H2,1-3H3 |
| InChIKey |
NKARWVSZUPOVCS-UHFFFAOYSA-N |
| Molecular Weight |
348.402 g/mol |
| SMILES |
C(C1=C(C=C(C=C1)C)C1C2(C(C3=C(C2)C=C(C=C3)C)=O)N=NC1)(=O)OC |
![Methyl 4-methyl-2-(5-methyl-1-oxo-1,3,4',5'-tetrahydrospiro[indene-2,3'-pyrazol]-4'-yl)benzoate](/api/spectrum/3kuRGd3bzq2/structure.png?h=300&w=458 "Methyl 4-methyl-2-(5-methyl-1-oxo-1,3,4',5'-tetrahydrospiro[indene-2,3'-pyrazol]-4'-yl)benzoate")
