| SpectraBase Compound ID | EjlJHJVawI4 |
|---|---|
| InChI | InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H |
| InChIKey | AGNCKMHGYZKMLN-UHFFFAOYSA-N |
| Mol Weight | 249.16 g/mol |
| Molecular Formula | C6H4F5NO2S |
| Exact Mass | 248.98829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PGQETQelDh |
|---|---|
| Name | AGNCKMHGYZKMLN-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H4F5NO2S |
| InChI | InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H |
| InChIKey | AGNCKMHGYZKMLN-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 249.155 g/mol |
| Source File Reference | MHKO9853 |