| SpectraBase Compound ID | HZ4JXQZcTsJ |
|---|---|
| InChI | InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3 |
| InChIKey | XIOBUABQJIVPCQ-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C8H8OS |
| Exact Mass | 152.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkQnaHaAnQ9 |
|---|---|
| Name | 2-(Methylthio)benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.029586051 u |
| Formula | C8H8OS |
| InChI | InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3 |
| InChIKey | XIOBUABQJIVPCQ-UHFFFAOYSA-N |
| Molecular Weight | 152.211 g/mol |
| SMILES | CSC1=C(C=O)C=CC=C1 |