| SpectraBase Compound ID | APuE75bxzrv |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-11(2)10-20-15(18)8-9-16(19)21-12(3)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey | WEPADLQLFJDXNZ-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H21FO4 |
| Exact Mass | 296.142387 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 | DSXRWetkIlH |
|---|---|
| Name | Succinic acid, 1-(2-fluorophenyl)ethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.142387315 u |
| Formula | C16H21FO4 |
| InChI | InChI=1S/C16H21FO4/c1-11(2)10-20-15(18)8-9-16(19)21-12(3)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey | WEPADLQLFJDXNZ-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CCC(OC(C1=CC=CC=C1F)C)=O)(OCC(C)C)=O |