| SpectraBase Compound ID | Ck49CDet6XY |
|---|---|
| InChI | InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3 |
| InChIKey | KAKXOESNHIUYJT-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C9H7NOS |
| Exact Mass | 177.024835 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FeJJU1vVWP4 |
|---|---|
| Name | 1-(4-isothiocyanophenyl)ethane-1-one |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NOS |
| InChI | InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3 |
| InChIKey | KAKXOESNHIUYJT-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 177.221 g/mol |
| SMILES | C(C)(=O)c1ccc(cc1)N=C=S |
| SPLASH | splash10-03e9-0900000000-a85b1567bf281bd43436 |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872680 |