![4H-1,2,4-triazole-3-thiol, 5-[(1-naphthalenyloxy)methyl]-4-phenyl-](/api/spectrum/LUEQ8yyKctv/structure.png?h=300&w=458 "4H-1,2,4-triazole-3-thiol, 5-[(1-naphthalenyloxy)methyl]-4-phenyl-")
| SpectraBase Compound ID | 2yquviolFKQ |
|---|---|
| InChI | InChI=1S/C19H15N3OS/c24-19-21-20-18(22(19)15-9-2-1-3-10-15)13-23-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,24) |
| InChIKey | MXVHEZOEAAPXQC-UHFFFAOYSA-N |
| Mol Weight | 333.41 g/mol |
| Molecular Formula | C19H15N3OS |
| Exact Mass | 333.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUEQ8yyKctv |
|---|---|
| Name | 4H-1,2,4-Triazole-3-thiol, 5-[(1-naphthalenyloxy)methyl]-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.093583288 u |
| Formula | C19H15N3OS |
| InChI | InChI=1S/C19H15N3OS/c24-19-21-20-18(22(19)15-9-2-1-3-10-15)13-23-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,24) |
| InChIKey | MXVHEZOEAAPXQC-UHFFFAOYSA-N |
| SMILES | SC=1N(C(=NN1)COC=1C2=C(C=CC=C2)C=CC1)C1=CC=CC=C1 |