| SpectraBase Compound ID | 2vxF0V3By9B |
|---|---|
| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14) |
| InChIKey | UNLVJVQEDSDPIN-UHFFFAOYSA-N |
| Mol Weight | 205.14 g/mol |
| Molecular Formula | C8H6F3NO2 |
| Exact Mass | 205.035063 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4TABZHtch2L |
|---|---|
| Name | BENZOIC ACID, 2-AMINO-3-TRIFLUOROMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H6F3NO2 |
| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14) |
| InChIKey | UNLVJVQEDSDPIN-UHFFFAOYSA-N |
| Molecular Weight | 205.0349 |
| SMILES | OC(c1cccc(c1N)C(F)(F)F)=O |
| SPLASH | splash10-052r-2930000000-5a82c0a45edace05ec4c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |