| SpectraBase Compound ID | L1r8n4ROXGf |
|---|---|
| InChI | InChI=1S/C16H13ClN2O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-14(9-20)16(21)19-13/h1-8,14,20H,9H2,(H,19,21) |
| InChIKey | IDUWESZTPCUHJF-UHFFFAOYSA-N |
| Mol Weight | 300.75 g/mol |
| Molecular Formula | C16H13ClN2O2 |
| Exact Mass | 300.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OdJ66EttqQ |
|---|---|
| Name | 3-Hydroxymethyl-ndz |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.066555365 u |
| Formula | C16H13ClN2O2 |
| InChI | InChI=1S/C16H13ClN2O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-14(9-20)16(21)19-13/h1-8,14,20H,9H2,(H,19,21) |
| InChIKey | IDUWESZTPCUHJF-UHFFFAOYSA-N |
| Molecular Weight | 300.745 g/mol |
| SMILES | C12=C(NC(C(N=C2C2=CC=CC=C2)CO)=O)C=CC(=C1)Cl |