| SpectraBase Spectrum ID |
Gfnigs5ZFKA |
| Name |
1-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.054356790 u |
| Formula |
C18H16ClFO2S |
| InChI |
InChI=1S/C18H16ClFO2S/c1-23(21,22)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-18(20)17(19)11-13/h5-11H,2-4H2,1H3 |
| InChIKey |
FZTFVTPDNMGBRL-UHFFFAOYSA-N |
| Molecular Weight |
350.835 g/mol |
| SMILES |
C=1(C=CC(=CC1)S(=O)(=O)C)C1=C(CCC1)C=1C=C(C(=CC1)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93504 |
![1-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene](/api/spectrum/Gfnigs5ZFKA/structure.png?h=300&w=458 "1-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene")
