| SpectraBase Spectrum ID |
LwEjsghhruA |
| Name |
1-Chloro-4-propoxy-9H-thioxanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.032478531 u |
| Formula |
C16H13ClO2S |
| InChI |
InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3 |
| InChIKey |
VKQJCUYEEABXNK-UHFFFAOYSA-N |
| Molecular Weight |
304.791 g/mol |
| SMILES |
C1(Cl)=CC=C(C=2SC3=CC=CC=C3C(C12)=O)OCCC |
| Spectrum/Structure Validation Score (Raman) |
0.809239 |
