| SpectraBase Compound ID | 7nmHI6MloZC |
|---|---|
| InChI | InChI=1S/C16H24O4S2/c1-2-15-14-16(3-1)22-13-11-20-9-7-18-5-4-17-6-8-19-10-12-21-15/h1-3,14H,4-13H2 |
| InChIKey | IWSUZWVECCUWJA-UHFFFAOYSA-N |
| Mol Weight | 344.48 g/mol |
| Molecular Formula | C16H24O4S2 |
| Exact Mass | 344.111602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xFSx27adaz |
|---|---|
| Name | 1,3-Benzo-19-dithiocrow-6 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.111601597 u |
| Formula | C16H24O4S2 |
| InChI | InChI=1S/C16H24O4S2/c1-2-15-14-16(3-1)22-13-11-20-9-7-18-5-4-17-6-8-19-10-12-21-15/h1-3,14H,4-13H2 |
| InChIKey | IWSUZWVECCUWJA-UHFFFAOYSA-N |
| Molecular Weight | 344.484 g/mol |
| SMILES | C=12SCCOCCOCCOCCOCCSC(=C2)C=CC1 |