| SpectraBase Compound ID | A1O9ut1JgEl |
|---|---|
| InChI | InChI=1S/C23H22OS2/c1-23(2,26-20-16-10-5-11-17-20)22(24)21(18-12-6-3-7-13-18)25-19-14-8-4-9-15-19/h3-17,21H,1-2H3 |
| InChIKey | OOTJBRAKEFDLTN-UHFFFAOYSA-N |
| Mol Weight | 378.55 g/mol |
| Molecular Formula | C23H22OS2 |
| Exact Mass | 378.111208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19eu9tAKnV6 |
|---|---|
| Name | 2-Butanone, 3-methyl-1-phenyl-1,3-bis(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.111207675 u |
| Formula | C23H22OS2 |
| InChI | InChI=1S/C23H22OS2/c1-23(2,26-20-16-10-5-11-17-20)22(24)21(18-12-6-3-7-13-18)25-19-14-8-4-9-15-19/h3-17,21H,1-2H3 |
| InChIKey | OOTJBRAKEFDLTN-UHFFFAOYSA-N |
| Molecular Weight | 378.548 g/mol |
| SMILES | C(C(SC=1C=CC=CC1)(C)C)(C(SC=1C=CC=CC1)C1=CC=CC=C1)=O |