| SpectraBase Compound ID | EKYjGxhDKcM |
|---|---|
| InChI | InChI=1S/C13H10O2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
| InChIKey | GQZLUBQHOLNJIL-UHFFFAOYSA-N |
| Mol Weight | 230.28 g/mol |
| Molecular Formula | C13H10O2S |
| Exact Mass | 230.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LwWG5du54wy |
|---|---|
| Name | Carbonothioic acid, o,o-diphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.040150734 u |
| Formula | C13H10O2S |
| InChI | InChI=1S/C13H10O2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
| InChIKey | GQZLUBQHOLNJIL-UHFFFAOYSA-N |
| Molecular Weight | 230.281 g/mol |
| SMILES | C(OC1=CC=CC=C1)(OC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842565 |