| 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 |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FdlvPqfFvYw |
|---|---|
| Name | 3-Phenacyl-1,4-benzothiazin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.051049770 u |
| 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 |
| SMILES | C1(=NC=2C(SC1=O)=CC=CC2)CC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96866 |