| SpectraBase Spectrum ID |
Frz7stF1uf0 |
| Name |
2-[3,5-bis(Chloromethyl)-4-methoxy-phenyl]-3-(chloromethyl)thiochromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.985833995 u |
| Formula |
C19H15Cl3O2S |
| InChI |
InChI=1S/C19H15Cl3O2S/c1-24-18-12(8-20)6-11(7-13(18)9-21)19-15(10-22)17(23)14-4-2-3-5-16(14)25-19/h2-7H,8-10H2,1H3 |
| InChIKey |
SCUIWZBARQMFQY-UHFFFAOYSA-N |
| Molecular Weight |
413.746 g/mol |
| SMILES |
C(Cl)C1=C(SC2=CC=CC=C2C1=O)C1=CC(=C(OC)C(=C1)CCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903281 |
![2-[3,5-bis(Chloromethyl)-4-methoxy-phenyl]-3-(chloromethyl)thiochromen-4-one](/api/spectrum/Frz7stF1uf0/structure.png?h=300&w=458 "2-[3,5-bis(Chloromethyl)-4-methoxy-phenyl]-3-(chloromethyl)thiochromen-4-one")
