![Benzo[B]thiophene-5-carboxaldehyde](/api/spectrum/53Si8peHsIN/structure.png?h=300&w=458 "Benzo[B]thiophene-5-carboxaldehyde")
| SpectraBase Compound ID | FuznG5Yl89q |
|---|---|
| InChI | InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H |
| InChIKey | QHHRWAPVYHRAJA-UHFFFAOYSA-N |
| Mol Weight | 162.21 g/mol |
| Molecular Formula | C9H6OS |
| Exact Mass | 162.013936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53Si8peHsIN |
|---|---|
| Name | Benzo[B]thiophene-5-carboxaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.013935986 u |
| Formula | C9H6OS |
| InChI | InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H |
| InChIKey | QHHRWAPVYHRAJA-UHFFFAOYSA-N |
| Molecular Weight | 162.206 g/mol |
| SMILES | C=12C=C(C=CC1SC=C2)C=O |