| SpectraBase Compound ID | GXjXITdkEKn |
|---|---|
| InChI | InChI=1S/C16H15F10NO/c1-3-27(12(28)13(17,18)15(22,23)16(24,25)26)9(2)7-10-5-4-6-11(8-10)14(19,20)21/h4-6,8-9H,3,7H2,1-2H3 |
| InChIKey | ZMTMNVXFPQKXDV-UHFFFAOYSA-N |
| Mol Weight | 427.29 g/mol |
| Molecular Formula | C16H15F10NO |
| Exact Mass | 427.099396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ioyo6iAXysn |
|---|---|
| Name | Fenfluramine hfb P1525 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 427.099395736 u |
| Formula | C16H15F10NO |
| InChI | InChI=1S/C16H15F10NO/c1-3-27(12(28)13(17,18)15(22,23)16(24,25)26)9(2)7-10-5-4-6-11(8-10)14(19,20)21/h4-6,8-9H,3,7H2,1-2H3 |
| InChIKey | ZMTMNVXFPQKXDV-UHFFFAOYSA-N |
| Molecular Weight | 427.286 g/mol |
| SMILES | C(C(C(F)(F)F)(F)F)(C(N(C(CC1=CC(C(F)(F)F)=CC=C1)C)CC)=O)(F)F |