| SpectraBase Compound ID | OXkoHFTx37 |
|---|---|
| InChI | InChI=1S/C14H12OS2/c1-2-3-11(15)14-8-10-9-6-7-16-12(9)4-5-13(10)17-14/h4-8H,2-3H2,1H3 |
| InChIKey | XUNYFLADCFOBGM-UHFFFAOYSA-N |
| Mol Weight | 260.37 g/mol |
| Molecular Formula | C14H12OS2 |
| Exact Mass | 260.032957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCHxC1MhW2f |
|---|---|
| Name | 2-Butanoylbenzodithiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.032957353 u |
| Formula | C14H12OS2 |
| InChI | InChI=1S/C14H12OS2/c1-2-3-11(15)14-8-10-9-6-7-16-12(9)4-5-13(10)17-14/h4-8H,2-3H2,1H3 |
| InChIKey | XUNYFLADCFOBGM-UHFFFAOYSA-N |
| Molecular Weight | 260.369 g/mol |
| SMILES | C1(=CC=2C3=C(SC=C3)C=CC2S1)C(=O)CCC |