| SpectraBase Compound ID | L9JgoO2pMDV |
|---|---|
| InChI | InChI=1S/C17H13N3O/c21-17-14-7-2-1-6-13(14)16(19-20-17)9-11-10-18-15-8-4-3-5-12(11)15/h1-8,10,18H,9H2,(H,20,21) |
| InChIKey | FGXGHDRVAGSBCA-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C17H13N3O |
| Exact Mass | 275.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8jo544jcKr |
|---|---|
| Name | 4-(1H-Indol-3-ylmethyl)-1(2H)-phthalazinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.105862050 u |
| Formula | C17H13N3O |
| InChI | InChI=1S/C17H13N3O/c21-17-14-7-2-1-6-13(14)16(19-20-17)9-11-10-18-15-8-4-3-5-12(11)15/h1-8,10,18H,9H2,(H,20,21) |
| InChIKey | FGXGHDRVAGSBCA-UHFFFAOYSA-N |
| Molecular Weight | 275.311 g/mol |
| SMILES | N1C(C=2C=CC=CC2C(CC2=CNC3=C2C=CC=C3)=N1)=O |