| SpectraBase Compound ID | C80Ir3kJd6M |
|---|---|
| InChI | InChI=1S/C18H18N4O/c1-11-16-14(8-18(2,3)9-15(16)23)22(21-11)17-13-7-5-4-6-12(13)10-19-20-17/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | INGKTKXBUREUFI-UHFFFAOYSA-N |
| Mol Weight | 306.37 g/mol |
| Molecular Formula | C18H18N4O |
| Exact Mass | 306.148061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Jx1DNg0QsQ |
|---|---|
| Name | Indazol-4-one, 3,6,6-trimethyl-1-phthalazin-1-yl-1,5,6,7-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.148061215 u |
| Formula | C18H18N4O |
| InChI | InChI=1S/C18H18N4O/c1-11-16-14(8-18(2,3)9-15(16)23)22(21-11)17-13-7-5-4-6-12(13)10-19-20-17/h4-7,10H,8-9H2,1-3H3 |
| InChIKey | INGKTKXBUREUFI-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C=NN=C2N1C2=C(C(=O)CC(C2)(C)C)C(=N1)C |