| SpectraBase Compound ID | 2xmDYUKxXWd |
|---|---|
| InChI | InChI=1S/C18H26F3NO/c1-4-6-7-9-14(3)22(12-5-2)17(23)15-10-8-11-16(13-15)18(19,20)21/h8,10-11,13-14H,4-7,9,12H2,1-3H3 |
| InChIKey | JSUJFOBDFDYVIA-UHFFFAOYSA-N |
| Mol Weight | 329.41 g/mol |
| Molecular Formula | C18H26F3NO |
| Exact Mass | 329.196649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67oJ7xUL406 |
|---|---|
| Name | Benzamide, 3-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 | 329.196648949 u |
| Formula | C18H26F3NO |
| InChI | InChI=1S/C18H26F3NO/c1-4-6-7-9-14(3)22(12-5-2)17(23)15-10-8-11-16(13-15)18(19,20)21/h8,10-11,13-14H,4-7,9,12H2,1-3H3 |
| InChIKey | JSUJFOBDFDYVIA-UHFFFAOYSA-N |
| Molecular Weight | 329.407 g/mol |
| SMILES | C(=O)(N(CCC)C(CCCCC)C)C=1C=CC=C(C(F)(F)F)C1 |