| SpectraBase Compound ID | 6LMJHoSjB7m |
|---|---|
| InChI | InChI=1S/C12H10F7NO2/c1-22-8-5-3-2-4-7(8)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21) |
| InChIKey | MKSPDHURRZARPF-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C12H10F7NO2 |
| Exact Mass | 333.059976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWJz9f494pg |
|---|---|
| Name | 2-Methoxybenzylamine, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.059975705 u |
| Formula | C12H10F7NO2 |
| InChI | InChI=1S/C12H10F7NO2/c1-22-8-5-3-2-4-7(8)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21) |
| InChIKey | MKSPDHURRZARPF-UHFFFAOYSA-N |
| Molecular Weight | 333.206 g/mol |
| SMILES | C1(=C(C=CC=C1)CNC(=O)C(F)(C(C(F)(F)F)(F)F)F)OC |