![1H-Benz[f]indazole-4,9-dione, 1-(2-propynyl)-](/api/spectrum/LRHuv4Bjrk7/structure.png?h=300&w=458 "1H-Benz[f]indazole-4,9-dione, 1-(2-propynyl)-")
| SpectraBase Compound ID | 1DugX3iP5gl |
|---|---|
| InChI | InChI=1S/C14H8N2O2/c1-2-7-16-12-11(8-15-16)13(17)9-5-3-4-6-10(9)14(12)18/h1,3-6,8H,7H2 |
| InChIKey | IRLHRNAVAXNEEQ-UHFFFAOYSA-N |
| Mol Weight | 236.23 g/mol |
| Molecular Formula | C14H8N2O2 |
| Exact Mass | 236.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRHuv4Bjrk7 |
|---|---|
| Name | 1H-Benz[F]indazole-4,9-dione, 1-(2-propynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.058577504 u |
| Formula | C14H8N2O2 |
| InChI | InChI=1S/C14H8N2O2/c1-2-7-16-12-11(8-15-16)13(17)9-5-3-4-6-10(9)14(12)18/h1,3-6,8H,7H2 |
| InChIKey | IRLHRNAVAXNEEQ-UHFFFAOYSA-N |
| Molecular Weight | 236.230 g/mol |
| SMILES | C1=C2C(=CC=C1)C(C1=C(C2=O)C=NN1CC#C)=O |