| SpectraBase Compound ID | InEBQhiXDgV |
|---|---|
| InChI | InChI=1S/C19H13N3O/c23-19(17-12-6-8-14-7-4-5-11-16(14)17)18-13-22(21-20-18)15-9-2-1-3-10-15/h1-13H |
| InChIKey | VSBQHXFHJUOPIG-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C19H13N3O |
| Exact Mass | 299.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsVxS0X80CG |
|---|---|
| Name | 1-Naphthalenyl-(1-phenyl-4-triazolyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.105862050 u |
| Formula | C19H13N3O |
| InChI | InChI=1S/C19H13N3O/c23-19(17-12-6-8-14-7-4-5-11-16(14)17)18-13-22(21-20-18)15-9-2-1-3-10-15/h1-13H |
| InChIKey | VSBQHXFHJUOPIG-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(C1)C=1C=CC=CC1)C(C1=C2C(C=CC=C2)=CC=C1)=O |