| SpectraBase Compound ID | KT13zOVpdFU |
|---|---|
| InChI | InChI=1S/C10H9N3OS/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15) |
| InChIKey | FVLMRSJALFJPOF-UHFFFAOYSA-N |
| Mol Weight | 219.26 g/mol |
| Molecular Formula | C10H9N3OS |
| Exact Mass | 219.046633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iyGoAW5wzJ |
|---|---|
| Name | 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-6-(phenylmethyl)-3-thioxo-; as-triazin-5-ol, 6-benzyl-3-mercapto- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.046633095 u |
| Formula | C10H9N3OS |
| InChI | InChI=1S/C10H9N3OS/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15) |
| InChIKey | FVLMRSJALFJPOF-UHFFFAOYSA-N |
| SMILES | N1C(NN=C(CC2=CC=CC=C2)C1=O)=S |