| SpectraBase Compound ID | BSYIKh2yite |
|---|---|
| InChI | InChI=1S/C14H12F7NO3/c15-9-3-5-10(6-4-9)22(11(23)13(16,17)18)7-1-2-8-25-12(24)14(19,20)21/h3-6H,1-2,7-8H2 |
| InChIKey | PUBRBWDDDZELLK-UHFFFAOYSA-N |
| Mol Weight | 375.24 g/mol |
| Molecular Formula | C14H12F7NO3 |
| Exact Mass | 375.07054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WIs8OjdNY3 |
|---|---|
| Name | 4-(4-Fluoroanilino)-1-butanol, N,o-bis(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.070540388 u |
| Formula | C14H12F7NO3 |
| InChI | InChI=1S/C14H12F7NO3/c15-9-3-5-10(6-4-9)22(11(23)13(16,17)18)7-1-2-8-25-12(24)14(19,20)21/h3-6H,1-2,7-8H2 |
| InChIKey | PUBRBWDDDZELLK-UHFFFAOYSA-N |
| Molecular Weight | 375.243 g/mol |
| SMILES | C1(F)=CC=C(C=C1)N(CCCCOC(C(F)(F)F)=O)C(C(F)(F)F)=O |