| SpectraBase Compound ID | A5L63vZjZGg |
|---|---|
| InChI | InChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18) |
| InChIKey | XZLHQSQFBBOXIY-UHFFFAOYSA-N |
| Mol Weight | 265.27 g/mol |
| Molecular Formula | C16H11NO3 |
| Exact Mass | 265.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfdU0WL1Bcy |
|---|---|
| Name | Norgraveoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.073893215 u |
| Formula | C16H11NO3 |
| InChI | InChI=1S/C16H11NO3/c18-14-8-13(17-12-4-2-1-3-11(12)14)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2,(H,17,18) |
| InChIKey | XZLHQSQFBBOXIY-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)NC(=CC2=O)C1=CC2=C(OCO2)C=C1 |