| SpectraBase Compound ID | 8iTij6muGfj |
|---|---|
| InChI | InChI=1S/C12H14F3NO/c1-3-7-16(2)11(17)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | ZQZUJMBPUZAHLH-UHFFFAOYSA-N |
| Mol Weight | 245.25 g/mol |
| Molecular Formula | C12H14F3NO |
| Exact Mass | 245.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9oRQH5Qihi |
|---|---|
| Name | Benzamide, 3-trifluoromethyl-N-methyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.102748563 u |
| Formula | C12H14F3NO |
| InChI | InChI=1S/C12H14F3NO/c1-3-7-16(2)11(17)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | ZQZUJMBPUZAHLH-UHFFFAOYSA-N |
| Molecular Weight | 245.245 g/mol |
| SMILES | C(=O)(N(CCC)C)C=1C=C(C=CC1)C(F)(F)F |