| SpectraBase Compound ID | CZ01xXMyLu |
|---|---|
| InChI | InChI=1S/C16H15F7N2O/c1-8-3-4-12-11(5-8)10(7-24-12)6-9(2)25-13(26)14(17,18)15(19,20)16(21,22)23/h3-5,7,9,24H,6H2,1-2H3,(H,25,26) |
| InChIKey | PWOSGTWVABUSQU-UHFFFAOYSA-N |
| Mol Weight | 384.3 g/mol |
| Molecular Formula | C16H15F7N2O |
| Exact Mass | 384.10726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25zxwzgaGdS |
|---|---|
| Name | 5-me-amt hfb P1375 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.107260251 u |
| Formula | C16H15F7N2O |
| InChI | InChI=1S/C16H15F7N2O/c1-8-3-4-12-11(5-8)10(7-24-12)6-9(2)25-13(26)14(17,18)15(19,20)16(21,22)23/h3-5,7,9,24H,6H2,1-2H3,(H,25,26) |
| InChIKey | PWOSGTWVABUSQU-UHFFFAOYSA-N |
| Molecular Weight | 384.298 g/mol |
| SMILES | C1(=CC=C2NC=C(C2=C1)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C)C |