| SpectraBase Compound ID | CJXbi8rwqlA |
|---|---|
| InChI | InChI=1S/C17H22F3NO4/c1-5-7-12(21(6-2)16(23)17(18,19)20)15(22)11-8-9-13(24-3)14(10-11)25-4/h8-10,12H,5-7H2,1-4H3 |
| InChIKey | PTTVKCSWVIQANV-UHFFFAOYSA-N |
| Mol Weight | 361.36 g/mol |
| Molecular Formula | C17H22F3NO4 |
| Exact Mass | 361.150093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J862gLxUHrs |
|---|---|
| Name | dl-4662, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.150092677 u |
| Formula | C17H22F3NO4 |
| InChI | InChI=1S/C17H22F3NO4/c1-5-7-12(21(6-2)16(23)17(18,19)20)15(22)11-8-9-13(24-3)14(10-11)25-4/h8-10,12H,5-7H2,1-4H3 |
| InChIKey | PTTVKCSWVIQANV-UHFFFAOYSA-N |
| Molecular Weight | 361.361 g/mol |
| SMILES | C(C(CCC)N(CC)C(C(F)(F)F)=O)(=O)C1=CC(OC)=C(C=C1)OC |