| SpectraBase Compound ID | BQPealruxIo |
|---|---|
| InChI | InChI=1S/C16H14F7NO2/c1-9(7-10-3-4-12-11(8-10)5-6-26-12)24(2)13(25)14(17,18)15(19,20)16(21,22)23/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | BBTGZXDCRHYZLS-UHFFFAOYSA-N |
| Mol Weight | 385.28 g/mol |
| Molecular Formula | C16H14F7NO2 |
| Exact Mass | 385.091276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fz3qhm0CKm |
|---|---|
| Name | 5-Mapb hfb P1380 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.091275834 u |
| Formula | C16H14F7NO2 |
| InChI | InChI=1S/C16H14F7NO2/c1-9(7-10-3-4-12-11(8-10)5-6-26-12)24(2)13(25)14(17,18)15(19,20)16(21,22)23/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | BBTGZXDCRHYZLS-UHFFFAOYSA-N |
| Molecular Weight | 385.282 g/mol |
| SMILES | C=1(C=CC2=C(C1)C=CO2)CC(N(C)C(=O)C(C(F)(F)C(F)(F)F)(F)F)C |