| SpectraBase Compound ID | EKyDIjeo7s8 |
|---|---|
| InChI | InChI=1S/C15H9BrOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H |
| InChIKey | XUPRKIRMLPSZGM-UHFFFAOYSA-N |
| Mol Weight | 317.2 g/mol |
| Molecular Formula | C15H9BrOS |
| Exact Mass | 315.955749 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 | 5xoNrkLL0r4 |
|---|---|
| Name | 3-Bromo-1-thioflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.955749083 u |
| Formula | C15H9BrOS |
| InChI | InChI=1S/C15H9BrOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H |
| InChIKey | XUPRKIRMLPSZGM-UHFFFAOYSA-N |
| Molecular Weight | 317.200 g/mol |
| SMILES | C1=2SC(=C(C(C1=CC=CC2)=O)Br)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878726 |