| SpectraBase Compound ID | D7K0oRV2YuS |
|---|---|
| InChI | InChI=1S/C10H10N2OS2/c1-12-9(15-10(14)11-12)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | UWRBGTYEGRXIMV-UHFFFAOYSA-N |
| Mol Weight | 238.32 g/mol |
| Molecular Formula | C10H10N2OS2 |
| Exact Mass | 238.023455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4NYM14phxN |
|---|---|
| Name | 1,3,4-Thiadiazolium, 4,5-dihydro-2-(4-methoxyphenyl)-3-methyl-5-thioxo-, hydroxide, inner salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.023455297 u |
| Formula | C10H10N2OS2 |
| InChI | InChI=1S/C10H10N2OS2/c1-12-9(15-10(14)11-12)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | UWRBGTYEGRXIMV-UHFFFAOYSA-N |
| Molecular Weight | 238.323 g/mol |
| SMILES | C1(=[N+](N=C(S1)[S-])C)C1=CC=C(C=C1)OC |