| SpectraBase Compound ID | KmR9c8vte6K |
|---|---|
| InChI | InChI=1S/C13H15F3N2O2/c14-13(15,16)12(20)18-9-5-4-8-17-11(19)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,19)(H,18,20) |
| InChIKey | SDZSZUWDUQHIQK-UHFFFAOYSA-N |
| Mol Weight | 288.27 g/mol |
| Molecular Formula | C13H15F3N2O2 |
| Exact Mass | 288.108562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CI44fTIF9pZ |
|---|---|
| Name | N-Benzoyl-N'-trifluoroacetyl-1,4-diaminobutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.108562218 u |
| Formula | C13H15F3N2O2 |
| InChI | InChI=1S/C13H15F3N2O2/c14-13(15,16)12(20)18-9-5-4-8-17-11(19)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,19)(H,18,20) |
| InChIKey | SDZSZUWDUQHIQK-UHFFFAOYSA-N |
| Molecular Weight | 288.270 g/mol |
| SMILES | C(CCCNC(C=1C=CC=CC1)=O)NC(=O)C(F)(F)F |