![1,3-Benzodithiole, 2-[3-(2,3-dimethoxyphenyl)propylidene]-](/api/spectrum/AsZ7msPaagr/structure.png?h=300&w=458 "1,3-Benzodithiole, 2-[3-(2,3-dimethoxyphenyl)propylidene]-")
| SpectraBase Compound ID | LQikftMm9lq |
|---|---|
| InChI | InChI=1S/C18H18O2S2/c1-19-14-9-5-7-13(18(14)20-2)8-6-12-17-21-15-10-3-4-11-16(15)22-17/h3-5,7,9-12H,6,8H2,1-2H3 |
| InChIKey | JOTCISUXOKPMBH-UHFFFAOYSA-N |
| Mol Weight | 330.46 g/mol |
| Molecular Formula | C18H18O2S2 |
| Exact Mass | 330.074822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsZ7msPaagr |
|---|---|
| Name | 1,3-Benzodithiole, 2-[3-(2,3-dimethoxyphenyl)propylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.074822166 u |
| Formula | C18H18O2S2 |
| InChI | InChI=1S/C18H18O2S2/c1-19-14-9-5-7-13(18(14)20-2)8-6-12-17-21-15-10-3-4-11-16(15)22-17/h3-5,7,9-12H,6,8H2,1-2H3 |
| InChIKey | JOTCISUXOKPMBH-UHFFFAOYSA-N |
| Molecular Weight | 330.460 g/mol |
| SMILES | C1(SC2=CC=CC=C2S1)=CCCC=1C(=C(OC)C=CC1)OC |