![4-Propylbenzo[B]thiophene](/api/spectrum/Ak9Zo8SpmmU/structure.png?h=300&w=458 "4-Propylbenzo[B]thiophene")
| SpectraBase Compound ID | 53hOjqDyDsz |
|---|---|
| InChI | InChI=1S/C11H12S/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h3,5-8H,2,4H2,1H3 |
| InChIKey | UKJZJDZHIULYJF-UHFFFAOYSA-N |
| Mol Weight | 176.28 g/mol |
| Molecular Formula | C11H12S |
| Exact Mass | 176.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ak9Zo8SpmmU |
|---|---|
| Name | 4-Propylbenzo[B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.065971560 u |
| Formula | C11H12S |
| InChI | InChI=1S/C11H12S/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h3,5-8H,2,4H2,1H3 |
| InChIKey | UKJZJDZHIULYJF-UHFFFAOYSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | c1c(c2C=CSc2cc1)CCC |