| SpectraBase Compound ID | 9rptk6OUw3t |
|---|---|
| InChI | InChI=1S/C13H14ClF2NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18) |
| InChIKey | RNCVLYXKVIJKLN-UHFFFAOYSA-N |
| Mol Weight | 305.71 g/mol |
| Molecular Formula | C13H14ClF2NO3 |
| Exact Mass | 305.063027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JOGnLxXKV7 |
|---|---|
| Name | (.+/-.)-bdb, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.063027338 u |
| Formula | C13H14ClF2NO3 |
| InChI | InChI=1S/C13H14ClF2NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18) |
| InChIKey | RNCVLYXKVIJKLN-UHFFFAOYSA-N |
| Molecular Weight | 305.709 g/mol |
| SMILES | C1(=CC=C2C(=C1)OCO2)CC(CC)NC(C(F)(F)Cl)=O |