| SpectraBase Compound ID | KSptEECrWuf |
|---|---|
| InChI | InChI=1S/C9H9FOS/c10-7-1-3-9(4-2-7)12-6-8-5-11-8/h1-4,8H,5-6H2 |
| InChIKey | VCHCHRUKBNUQHI-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C9H9FOS |
| Exact Mass | 184.035814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BtXad1WDWcX |
|---|---|
| Name | 4-Fluorophenyl 2-oxiranylmethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.035814246 u |
| Formula | C9H9FOS |
| InChI | InChI=1S/C9H9FOS/c10-7-1-3-9(4-2-7)12-6-8-5-11-8/h1-4,8H,5-6H2 |
| InChIKey | VCHCHRUKBNUQHI-UHFFFAOYSA-N |
| Molecular Weight | 184.228 g/mol |
| SMILES | C1(OC1)CSC1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880033 |