| SpectraBase Spectrum ID |
1JwDm9C2vYZ |
| Name |
3-[(2-Chloro-6-fluorobenzyl)thio]-4'-methoxy-3-phenylpropiophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.085656919 u |
| Formula |
C23H20ClFO2S |
| InChI |
InChI=1S/C23H20ClFO2S/c1-27-18-12-10-16(11-13-18)22(26)14-23(17-6-3-2-4-7-17)28-15-19-20(24)8-5-9-21(19)25/h2-13,23H,14-15H2,1H3 |
| InChIKey |
QOOCSSKBNUODCE-UHFFFAOYSA-N |
| Molecular Weight |
414.922 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)CSC(CC(C=1C=CC(=CC1)OC)=O)C=1C=CC=CC1)F |
| Spectrum/Structure Validation Score (Raman) |
0.962341 |
![3-[(2-Chloro-6-fluorobenzyl)thio]-4'-methoxy-3-phenylpropiophenone](/api/spectrum/1JwDm9C2vYZ/structure.png?h=300&w=458 "3-[(2-Chloro-6-fluorobenzyl)thio]-4'-methoxy-3-phenylpropiophenone")
