| SpectraBase Compound ID | 8q9RCnf5mM0 |
|---|---|
| InChI | InChI=1S/C16H15ClOS/c17-14-8-6-13(7-9-14)12-15(18)10-11-19-16-4-2-1-3-5-16/h1-9H,10-12H2 |
| InChIKey | RGVWAOFGXKBASZ-UHFFFAOYSA-N |
| Mol Weight | 290.81 g/mol |
| Molecular Formula | C16H15ClOS |
| Exact Mass | 290.053214 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 59vEWiKOOP2 |
|---|---|
| Name | 2-Butanone, 1-(4-chlorophenyl)-4-(phenylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.053213976 u |
| Formula | C16H15ClOS |
| InChI | InChI=1S/C16H15ClOS/c17-14-8-6-13(7-9-14)12-15(18)10-11-19-16-4-2-1-3-5-16/h1-9H,10-12H2 |
| InChIKey | RGVWAOFGXKBASZ-UHFFFAOYSA-N |
| SMILES | C(=O)(CC1=CC=C(C=C1)Cl)CCSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941115 |