| SpectraBase Compound ID | 35IJvBZtHmE |
|---|---|
| InChI | InChI=1S/C16H17ClF7NO2/c1-13(2,3)25-8-11(9-6-4-5-7-10(9)17)27-12(26)14(18,19)15(20,21)16(22,23)24/h4-7,11,25H,8H2,1-3H3 |
| InChIKey | PTMVCHHELQQSSF-UHFFFAOYSA-N |
| Mol Weight | 423.76 g/mol |
| Molecular Formula | C16H17ClF7NO2 |
| Exact Mass | 423.083604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sKxJALvEcY |
|---|---|
| Name | Tulobuterol, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.083603630 u |
| Formula | C16H17ClF7NO2 |
| InChI | InChI=1S/C16H17ClF7NO2/c1-13(2,3)25-8-11(9-6-4-5-7-10(9)17)27-12(26)14(18,19)15(20,21)16(22,23)24/h4-7,11,25H,8H2,1-3H3 |
| InChIKey | PTMVCHHELQQSSF-UHFFFAOYSA-N |
| Molecular Weight | 423.759 g/mol |
| SMILES | C1(=C(Cl)C=CC=C1)C(CNC(C)(C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |