SpectraBase Compound ID | AaVm0V5U4uw |
---|---|
InChI | InChI=1S/C7H6ClFS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2 |
InChIKey | JMWLQGNTPBIYIE-UHFFFAOYSA-N |
Mol Weight | 176.64 g/mol |
Molecular Formula | C7H6ClFS |
Exact Mass | 175.986277 g/mol |
SpectraBase Spectrum ID | IWEiaNAtl5V |
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Name | 1-Chloranyl-4-(fluoranylmethylsulfanyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 175.986277230 u |
Formula | C7H6ClFS |
InChI | InChI=1S/C7H6ClFS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2 |
InChIKey | JMWLQGNTPBIYIE-UHFFFAOYSA-N |
Molecular Weight | 176.636 g/mol |
SMILES | C(F)SC=1C=CC(=CC1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881268 |