| SpectraBase Compound ID | 5kgZSPJF1E |
|---|---|
| InChI | InChI=1S/C7H6OS/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey | NRLPPGBADQVXSJ-UHFFFAOYSA-N |
| Mol Weight | 138.18 g/mol |
| Molecular Formula | C7H6OS |
| Exact Mass | 138.013936 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DkydYoi6fbM |
|---|---|
| Name | 4-Mercaptobenzaldehyde |
| CAS Registry Number | 29199-11-9 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 138.013935986 u |
| Formula | C7H6OS |
| InChI | InChI=1S/C7H6OS/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey | NRLPPGBADQVXSJ-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 138.184 g/mol |
| Nominal Mass | 138 u |
| Quality | 1000 |
| Retention Index | 961 |
| SMILES | SC=1C=CC(C=O)=CC1 |
| SPLASH | splash10-000i-3900000000-b1583b860500461675df |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 4-Sulfanylbenzaldehyde |
| Technique | GC/MS |
| Wiley ID | DD2024_024382 |