![Benzo[b]thiophene, 3-(hexylthio)-](/api/spectrum/59ZPkG4IQt0/structure.png?h=300&w=458 "Benzo[b]thiophene, 3-(hexylthio)-")
| SpectraBase Compound ID | 1dO8uidUDn2 |
|---|---|
| InChI | InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-16-13-9-6-5-8-12(13)14/h5-6,8-9,11H,2-4,7,10H2,1H3 |
| InChIKey | RQIBLKVRQAIOBM-UHFFFAOYSA-N |
| Mol Weight | 250.42 g/mol |
| Molecular Formula | C14H18S2 |
| Exact Mass | 250.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59ZPkG4IQt0 |
|---|---|
| Name | Benzo[B]thiophene, 3-(hexylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084992928 u |
| Formula | C14H18S2 |
| InChI | InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-16-13-9-6-5-8-12(13)14/h5-6,8-9,11H,2-4,7,10H2,1H3 |
| InChIKey | RQIBLKVRQAIOBM-UHFFFAOYSA-N |
| Molecular Weight | 250.418 g/mol |
| SMILES | C(SC=1C2=C(C=CC=C2)SC1)CCCCC |