| SpectraBase Compound ID | A5MrFnNsEEo |
|---|---|
| InChI | InChI=1S/C15H14F7NO3/c1-8(2)9-6-4-5-7-10(9)26-12(25)23(3)11(24)13(16,17)14(18,19)15(20,21)22/h4-8H,1-3H3 |
| InChIKey | OTRGIKXGHHYWCX-UHFFFAOYSA-N |
| Mol Weight | 389.27 g/mol |
| Molecular Formula | C15H14F7NO3 |
| Exact Mass | 389.08619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5b2X8WwGY6g |
|---|---|
| Name | Isoprocarb N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.086190453 u |
| Formula | C15H14F7NO3 |
| InChI | InChI=1S/C15H14F7NO3/c1-8(2)9-6-4-5-7-10(9)26-12(25)23(3)11(24)13(16,17)14(18,19)15(20,21)22/h4-8H,1-3H3 |
| InChIKey | OTRGIKXGHHYWCX-UHFFFAOYSA-N |
| Molecular Weight | 389.270 g/mol |
| SMILES | C1=CC=CC(=C1C(C)C)OC(=O)N(C(=O)C(C(F)(C(F)(F)F)F)(F)F)C |