| SpectraBase Compound ID | EBTE6HBNIuN |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-3-4-8-25-10(23)6-5-7-11(24)26-9(2)12-13(18)15(20)17(22)16(21)14(12)19/h9H,3-8H2,1-2H3 |
| InChIKey | MHDDVPYKKMQGNY-UHFFFAOYSA-N |
| Mol Weight | 382.33 g/mol |
| Molecular Formula | C17H19F5O4 |
| Exact Mass | 382.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KFHblRFSyVQ |
|---|---|
| Name | Glutaric acid, butyl 1-(pentafluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.120349903 u |
| Formula | C17H19F5O4 |
| InChI | InChI=1S/C17H19F5O4/c1-3-4-8-25-10(23)6-5-7-11(24)26-9(2)12-13(18)15(20)17(22)16(21)14(12)19/h9H,3-8H2,1-2H3 |
| InChIKey | MHDDVPYKKMQGNY-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | C(OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCC)=O |