| SpectraBase Compound ID | 2jCM8FIDEtF |
|---|---|
| InChI | InChI=1S/C11H7ClF7NO/c1-5-6(12)3-2-4-7(5)20-8(21)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3,(H,20,21) |
| InChIKey | RMIGUGYDXPSKRP-UHFFFAOYSA-N |
| Mol Weight | 337.62 g/mol |
| Molecular Formula | C11H7ClF7NO |
| Exact Mass | 337.010439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kmiiki82Xpn |
|---|---|
| Name | 3-Chloro-o-toluidine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.010438689 u |
| Formula | C11H7ClF7NO |
| InChI | InChI=1S/C11H7ClF7NO/c1-5-6(12)3-2-4-7(5)20-8(21)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3,(H,20,21) |
| InChIKey | RMIGUGYDXPSKRP-UHFFFAOYSA-N |
| Molecular Weight | 337.625 g/mol |
| SMILES | C1(=C(C)C(=CC=C1)Cl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |