| SpectraBase Compound ID | 17J7Kkn7gmw |
|---|---|
| InChI | InChI=1S/C16H14F7NO4/c1-13(2)7-8-5-4-6-9(10(8)28-13)27-12(26)24(3)11(25)14(17,18)15(19,20)16(21,22)23/h4-6H,7H2,1-3H3 |
| InChIKey | JVYAWIWJCUAZLP-UHFFFAOYSA-N |
| Mol Weight | 417.28 g/mol |
| Molecular Formula | C16H14F7NO4 |
| Exact Mass | 417.081105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0bJ1bfkdq0 |
|---|---|
| Name | Carbofuran, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.081105072 u |
| Formula | C16H14F7NO4 |
| InChI | InChI=1S/C16H14F7NO4/c1-13(2)7-8-5-4-6-9(10(8)28-13)27-12(26)24(3)11(25)14(17,18)15(19,20)16(21,22)23/h4-6H,7H2,1-3H3 |
| InChIKey | JVYAWIWJCUAZLP-UHFFFAOYSA-N |
| Molecular Weight | 417.280 g/mol |
| SMILES | C(OC=1C=CC=C2CC(OC12)(C)C)(=O)N(C(C(C(F)(C(F)(F)F)F)(F)F)=O)C |