| SpectraBase Compound ID | BTG7iydUZnV |
|---|---|
| InChI | InChI=1S/C12H9N3OS/c1-2-8-17-12-13-11(16)10(14-15-12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,13,15,16) |
| InChIKey | IYVDBGOPIFHJPC-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C12H9N3OS |
| Exact Mass | 243.046633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGCTbIhgQIZ |
|---|---|
| Name | 6-Phenyl-3-(prop-2-ynylthio)-2H-1,2,4-triazin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.046633095 u |
| Formula | C12H9N3OS |
| InChI | InChI=1S/C12H9N3OS/c1-2-8-17-12-13-11(16)10(14-15-12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,13,15,16) |
| InChIKey | IYVDBGOPIFHJPC-UHFFFAOYSA-N |
| Molecular Weight | 243.284 g/mol |
| SMILES | C1(N=C(NN=C1C=1C=CC=CC1)SCC#C)=O |