| SpectraBase Compound ID | JFzoIRiHp1T |
|---|---|
| InChI | InChI=1S/C16H10F5NO4/c17-15(18,16(19,20)21)14(23)26-13-7-6-11(9-12(13)22(24)25)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | MVLPPKJQGSUIMA-UHFFFAOYSA-N |
| Mol Weight | 375.25 g/mol |
| Molecular Formula | C16H10F5NO4 |
| Exact Mass | 375.052999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Luz6ORD1JgK |
|---|---|
| Name | 4-Benzyl-2-nitrophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.052998617 u |
| Formula | C16H10F5NO4 |
| InChI | InChI=1S/C16H10F5NO4/c17-15(18,16(19,20)21)14(23)26-13-7-6-11(9-12(13)22(24)25)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | MVLPPKJQGSUIMA-UHFFFAOYSA-N |
| Molecular Weight | 375.251 g/mol |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)CC1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O |