| SpectraBase Compound ID | HfiQZLyTvQL |
|---|---|
| InChI | InChI=1S/C18H13F5O4/c1-2-3-8-26-17(24)9-6-4-5-7-10(9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h4-7H,2-3,8H2,1H3 |
| InChIKey | RAZMDYUOYBIGPW-UHFFFAOYSA-N |
| Mol Weight | 388.29 g/mol |
| Molecular Formula | C18H13F5O4 |
| Exact Mass | 388.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 481xkpG2Sis |
|---|---|
| Name | Phthalic acid, butyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.073399710 u |
| Formula | C18H13F5O4 |
| InChI | InChI=1S/C18H13F5O4/c1-2-3-8-26-17(24)9-6-4-5-7-10(9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h4-7H,2-3,8H2,1H3 |
| InChIKey | RAZMDYUOYBIGPW-UHFFFAOYSA-N |
| Molecular Weight | 388.290 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |