| SpectraBase Compound ID | 8aOlU8hcmHM |
|---|---|
| InChI | InChI=1S/C8H11N3OS/c13-8-9-5-11(6-10-8)4-7-2-1-3-12-7/h1-3H,4-6H2,(H2,9,10,13) |
| InChIKey | NOAWRLJMECNNHP-UHFFFAOYSA-N |
| Mol Weight | 197.26 g/mol |
| Molecular Formula | C8H11N3OS |
| Exact Mass | 197.062283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yuB9guIofv |
|---|---|
| Name | 5-(2-Furylmethyl)tetrahydro-1,3,5-triazine-2(1H)-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.062283159 u |
| Formula | C8H11N3OS |
| InChI | InChI=1S/C8H11N3OS/c13-8-9-5-11(6-10-8)4-7-2-1-3-12-7/h1-3H,4-6H2,(H2,9,10,13) |
| InChIKey | NOAWRLJMECNNHP-UHFFFAOYSA-N |
| SMILES | N1CN(CNC1=S)CC=1OC=CC1 |