![Benzo[B]thiophene-3-ethanol, p-chlorobenzoate](/api/spectrum/A2FHr3sNaVE/structure.png?h=300&w=458 "Benzo[B]thiophene-3-ethanol, p-chlorobenzoate")
| SpectraBase Compound ID | 5JZx8Pyfhbd |
|---|---|
| InChI | InChI=1S/C17H13ClO2S/c18-14-7-5-12(6-8-14)17(19)20-10-9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11H,9-10H2 |
| InChIKey | FGBKELUTAVIXSC-UHFFFAOYSA-N |
| Mol Weight | 316.8 g/mol |
| Molecular Formula | C17H13ClO2S |
| Exact Mass | 316.032479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A2FHr3sNaVE |
|---|---|
| Name | Benzo[B]thiophene-3-ethanol, p-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.032478531 u |
| Formula | C17H13ClO2S |
| InChI | InChI=1S/C17H13ClO2S/c18-14-7-5-12(6-8-14)17(19)20-10-9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11H,9-10H2 |
| InChIKey | FGBKELUTAVIXSC-UHFFFAOYSA-N |
| Molecular Weight | 316.802 g/mol |
| SMILES | C=12C=CC=CC1SC=C2CCOC(C=1C=CC(=CC1)Cl)=O |