| SpectraBase Compound ID | 9en54q0PS2 |
|---|---|
| InChI | InChI=1S/C9H7BrF2S/c10-6-8(9(11)12)13-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | QIQOJFNAGQEPTR-UHFFFAOYSA-N |
| Mol Weight | 265.12 g/mol |
| Molecular Formula | C9H7BrF2S |
| Exact Mass | 263.941991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8238SfzWFIl |
|---|---|
| Name | (3-Bromo-1,1-difluoroprop-1-en-2-yl)sulfanylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.941990725 u |
| Formula | C9H7BrF2S |
| InChI | InChI=1S/C9H7BrF2S/c10-6-8(9(11)12)13-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | QIQOJFNAGQEPTR-UHFFFAOYSA-N |
| Molecular Weight | 265.116 g/mol |
| SMILES | C(=C(F)F)(SC1=CC=CC=C1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816307 |