| SpectraBase Compound ID | 1cy9owUfpVR |
|---|---|
| InChI | InChI=1S/C13H7ClOS/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H |
| InChIKey | YNSNJGRCQCDRDM-UHFFFAOYSA-N |
| Mol Weight | 246.71 g/mol |
| Molecular Formula | C13H7ClOS |
| Exact Mass | 245.990614 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 | Cjpknr0K0Ia |
|---|---|
| Name | 9H-Thioxanthen-9-one, 1-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.990613718 u |
| Formula | C13H7ClOS |
| InChI | InChI=1S/C13H7ClOS/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H |
| InChIKey | YNSNJGRCQCDRDM-UHFFFAOYSA-N |
| Molecular Weight | 246.711 g/mol |
| SMILES | C1(C2=C(C=CC=C2Cl)SC=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925709 |