| SpectraBase Compound ID | 85VAvBjpsgk |
|---|---|
| InChI | InChI=1S/C11H13N3O2S/c17-11-12-5-14(6-13-11)4-8-1-2-9-10(3-8)16-7-15-9/h1-3H,4-7H2,(H2,12,13,17) |
| InChIKey | JSKZYAPGCAXNQT-UHFFFAOYSA-N |
| Mol Weight | 251.3 g/mol |
| Molecular Formula | C11H13N3O2S |
| Exact Mass | 251.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZVRJqdy9yf |
|---|---|
| Name | 1,3,5-Triazine-2(1H)-thione, 5-(1,3-benzodioxol-5-ylmethyl)tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.072847843 u |
| Formula | C11H13N3O2S |
| InChI | InChI=1S/C11H13N3O2S/c17-11-12-5-14(6-13-11)4-8-1-2-9-10(3-8)16-7-15-9/h1-3H,4-7H2,(H2,12,13,17) |
| InChIKey | JSKZYAPGCAXNQT-UHFFFAOYSA-N |
| Molecular Weight | 251.304 g/mol |
| SMILES | C1(NCN(CN1)CC=1C=CC2=C(C1)OCO2)=S |