| SpectraBase Compound ID | AbcsttaXSI7 |
|---|---|
| InChI | InChI=1S/C16H11NO2S/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2 |
| InChIKey | NGMZCULQLFABDQ-UHFFFAOYSA-N |
| Mol Weight | 281.33 g/mol |
| Molecular Formula | C16H11NO2S |
| Exact Mass | 281.05105 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6vmoaVOQoCR |
|---|---|
| Name | 3-Phenacyl-1,4-benzothiazin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H11NO2S |
| InChI | InChI=1S/C16H11NO2S/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2 |
| InChIKey | NGMZCULQLFABDQ-UHFFFAOYSA-N |
| Molecular Weight | 281.329 g/mol |
| SMILES | C1(=Nc2c(SC1=O)cccc2)CC(=O)c1ccccc1 |
| SPLASH | splash10-0pdi-4930000000-1eb8bdcbe135074203c7 |
| Source of Spectrum | O1-36-1344-8 |
| Wiley ID | 819918 |