| SpectraBase Compound ID | C82hydw9Fc |
|---|---|
| InChI | InChI=1S/C14H16ClF2NO3/c1-3-18(13(19)14(15,16)17)9(2)6-10-4-5-11-12(7-10)21-8-20-11/h4-5,7,9H,3,6,8H2,1-2H3 |
| InChIKey | IKBLVGIHSBZRGM-UHFFFAOYSA-N |
| Mol Weight | 319.74 g/mol |
| Molecular Formula | C14H16ClF2NO3 |
| Exact Mass | 319.078677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmjfPKLBkgz |
|---|---|
| Name | (.+/-.)-mdea, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.078677402 u |
| Formula | C14H16ClF2NO3 |
| InChI | InChI=1S/C14H16ClF2NO3/c1-3-18(13(19)14(15,16)17)9(2)6-10-4-5-11-12(7-10)21-8-20-11/h4-5,7,9H,3,6,8H2,1-2H3 |
| InChIKey | IKBLVGIHSBZRGM-UHFFFAOYSA-N |
| Molecular Weight | 319.736 g/mol |
| SMILES | CCN(C(C)CC1=CC=C2C(=C1)OCO2)C(C(F)(F)Cl)=O |