| SpectraBase Compound ID | EqR938Az3vb |
|---|---|
| InChI | InChI=1S/C12H9F5O4/c1-20-9(18)6-7-2-4-8(5-3-7)21-10(19)11(13,14)12(15,16)17/h2-5H,6H2,1H3 |
| InChIKey | OWWLWJOYZHPHRY-UHFFFAOYSA-N |
| Mol Weight | 312.19 g/mol |
| Molecular Formula | C12H9F5O4 |
| Exact Mass | 312.0421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDw0Blsr79k |
|---|---|
| Name | Benzeneacetic acid, 4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.042099581 u |
| Formula | C12H9F5O4 |
| InChI | InChI=1S/C12H9F5O4/c1-20-9(18)6-7-2-4-8(5-3-7)21-10(19)11(13,14)12(15,16)17/h2-5H,6H2,1H3 |
| InChIKey | OWWLWJOYZHPHRY-UHFFFAOYSA-N |
| Molecular Weight | 312.192 g/mol |
| SMILES | C(C(C(OC1=CC=C(C=C1)CC(OC)=O)=O)(F)F)(F)(F)F |