| SpectraBase Compound ID | GvhfaR2ezjJ |
|---|---|
| InChI | InChI=1S/C14H14ClF2NO4/c1-3-9(18(2)13(20)14(15,16)17)12(19)8-4-5-10-11(6-8)22-7-21-10/h4-6,9H,3,7H2,1-2H3 |
| InChIKey | NHRBBPGVSVDZSL-UHFFFAOYSA-N |
| Mol Weight | 333.72 g/mol |
| Molecular Formula | C14H14ClF2NO4 |
| Exact Mass | 333.057942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7uBD7EVVU7j |
|---|---|
| Name | Butylone, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.057941957 u |
| Formula | C14H14ClF2NO4 |
| InChI | InChI=1S/C14H14ClF2NO4/c1-3-9(18(2)13(20)14(15,16)17)12(19)8-4-5-10-11(6-8)22-7-21-10/h4-6,9H,3,7H2,1-2H3 |
| InChIKey | NHRBBPGVSVDZSL-UHFFFAOYSA-N |
| Molecular Weight | 333.719 g/mol |
| SMILES | C1=C2C(=CC=C1C(=O)C(CC)N(C)C(C(F)(F)Cl)=O)OCO2 |