| SpectraBase Compound ID | LbD5ALTgudY |
|---|---|
| InChI | InChI=1S/C15H10F5NO2/c1-21(2)7-4-3-5-8(6-7)23-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h3-6H,1-2H3 |
| InChIKey | QIMUIENVIJXIOE-UHFFFAOYSA-N |
| Mol Weight | 331.24 g/mol |
| Molecular Formula | C15H10F5NO2 |
| Exact Mass | 331.063169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLbwD1ZGdMW |
|---|---|
| Name | Benzoic acid, 2,3,4,5,6-pentafluoro-, 3-(dimethylamino)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.063169379 u |
| Formula | C15H10F5NO2 |
| InChI | InChI=1S/C15H10F5NO2/c1-21(2)7-4-3-5-8(6-7)23-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h3-6H,1-2H3 |
| InChIKey | QIMUIENVIJXIOE-UHFFFAOYSA-N |
| Molecular Weight | 331.242 g/mol |
| SMILES | CN(C)C1=CC=CC(=C1)OC(=O)C1=C(F)C(F)=C(C(=C1F)F)F |