| SpectraBase Compound ID | Do2KZxp5Yoi |
|---|---|
| InChI | InChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | LHQHZLLOGPDNGV-UHFFFAOYSA-N |
| Mol Weight | 202.27 g/mol |
| Molecular Formula | C11H10N2S |
| Exact Mass | 202.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ij9XiPXR8cZ |
|---|---|
| Name | Pyrimidine, 2-(methylthio)-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.056469504 u |
| Formula | C11H10N2S |
| InChI | InChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | LHQHZLLOGPDNGV-UHFFFAOYSA-N |
| Molecular Weight | 202.275 g/mol |
| SMILES | C=1(N=C(C=CN1)C1=CC=CC=C1)SC |