| SpectraBase Compound ID | 3vmP3cE7Dva |
|---|---|
| InChI | InChI=1S/C10H7NO3S/c12-9(7-4-2-1-3-5-7)14-8-6-15-10(13)11-8/h1-5H,6H2 |
| InChIKey | XHGQGIGDTOPKLT-UHFFFAOYSA-N |
| Mol Weight | 221.23 g/mol |
| Molecular Formula | C10H7NO3S |
| Exact Mass | 221.014664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KhFfGQHXCk9 |
|---|---|
| Name | 2(5H)-Thiazolone, 4-(benzoyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.014664260 u |
| Formula | C10H7NO3S |
| InChI | InChI=1S/C10H7NO3S/c12-9(7-4-2-1-3-5-7)14-8-6-15-10(13)11-8/h1-5H,6H2 |
| InChIKey | XHGQGIGDTOPKLT-UHFFFAOYSA-N |
| Molecular Weight | 221.230 g/mol |
| SMILES | C1=CC=C(C=C1)C(OC=1CSC(N1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874651 |