| SpectraBase Compound ID | CcBVhjXfcEC |
|---|---|
| InChI | InChI=1S/C17H18S2/c1-12-8-15-10-18-17(14-6-4-3-5-7-14)19-11-16(15)9-13(12)2/h3-9,17H,10-11H2,1-2H3 |
| InChIKey | HQRAPJHAYXQOFB-UHFFFAOYSA-N |
| Mol Weight | 286.45 g/mol |
| Molecular Formula | C17H18S2 |
| Exact Mass | 286.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nom6mTWGuk |
|---|---|
| Name | 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.084992928 u |
| Formula | C17H18S2 |
| InChI | InChI=1S/C17H18S2/c1-12-8-15-10-18-17(14-6-4-3-5-7-14)19-11-16(15)9-13(12)2/h3-9,17H,10-11H2,1-2H3 |
| InChIKey | HQRAPJHAYXQOFB-UHFFFAOYSA-N |
| SMILES | C=1C=CC(C2SCC3=C(CS2)C=C(C(C)=C3)C)=CC1 |