| SpectraBase Compound ID | 3tOmGne3ZEN |
|---|---|
| InChI | InChI=1S/C18H25F4NO/c1-4-6-7-8-13(3)23(9-5-2)17(24)14-10-15(18(20,21)22)12-16(19)11-14/h10-13H,4-9H2,1-3H3 |
| InChIKey | CCNYTJUAKIQXCA-UHFFFAOYSA-N |
| Mol Weight | 347.4 g/mol |
| Molecular Formula | C18H25F4NO |
| Exact Mass | 347.187227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gY1mBjr1IV |
|---|---|
| Name | Benzamide, 3-fluoro-5-trifluoromethyl-N-propyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.187227080 u |
| Formula | C18H25F4NO |
| InChI | InChI=1S/C18H25F4NO/c1-4-6-7-8-13(3)23(9-5-2)17(24)14-10-15(18(20,21)22)12-16(19)11-14/h10-13H,4-9H2,1-3H3 |
| InChIKey | CCNYTJUAKIQXCA-UHFFFAOYSA-N |
| Molecular Weight | 347.398 g/mol |
| SMILES | C(N(CCC)C(CCCCC)C)(=O)C=1C=C(C=C(C(F)(F)F)C1)F |