| SpectraBase Compound ID | 5dp20Q7r6wb |
|---|---|
| InChI | InChI=1S/C19H22S/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3 |
| InChIKey | AGSQAIKGLVZRKO-UHFFFAOYSA-N |
| Mol Weight | 282.44 g/mol |
| Molecular Formula | C19H22S |
| Exact Mass | 282.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DC40jxZh44D |
|---|---|
| Name | Dimesityl-thioketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.144221882 u |
| Formula | C19H22S |
| InChI | InChI=1S/C19H22S/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3 |
| InChIKey | AGSQAIKGLVZRKO-UHFFFAOYSA-N |
| SMILES | C(=S)(C1=C(C=C(C=C1C)C)C)C1=C(C=C(C=C1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89387 |