| SpectraBase Compound ID | JkqfE99rO5J |
|---|---|
| InChI | InChI=1S/C12H14OS/c13-12(10-6-7-10)8-9-14-11-4-2-1-3-5-11/h1-5,10H,6-9H2 |
| InChIKey | TVFNLVAWFIBHIE-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C12H14OS |
| Exact Mass | 206.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7pB1VWocHsw |
|---|---|
| Name | 1-Cyclopropyl-3-(phenylthio)-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.076536244 u |
| Formula | C12H14OS |
| InChI | InChI=1S/C12H14OS/c13-12(10-6-7-10)8-9-14-11-4-2-1-3-5-11/h1-5,10H,6-9H2 |
| InChIKey | TVFNLVAWFIBHIE-UHFFFAOYSA-N |
| Molecular Weight | 206.303 g/mol |
| SMILES | C(=O)(C1CC1)CCSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939517 |