| SpectraBase Compound ID | pwD49K3ThE |
|---|---|
| InChI | InChI=1S/C14H14F3NO3/c1-21-13(20)11-6-3-7-18(11)12(19)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8,11H,3,6-7H2,1H3 |
| InChIKey | MSGPECJKIWFUQD-UHFFFAOYSA-N |
| Mol Weight | 301.27 g/mol |
| Molecular Formula | C14H14F3NO3 |
| Exact Mass | 301.092578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QlJHVZ0Hkf |
|---|---|
| Name | L-Proline, N-(3-trifluoromethylbenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.092577801 u |
| Formula | C14H14F3NO3 |
| InChI | InChI=1S/C14H14F3NO3/c1-21-13(20)11-6-3-7-18(11)12(19)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8,11H,3,6-7H2,1H3 |
| InChIKey | MSGPECJKIWFUQD-UHFFFAOYSA-N |
| Molecular Weight | 301.265 g/mol |
| SMILES | C1=C(C=C(C=C1)C(N1C(C(OC)=O)CCC1)=O)C(F)(F)F |