| SpectraBase Compound ID | KRUZM5SOg5F |
|---|---|
| InChI | InChI=1S/C18H17FO4/c19-15-7-4-8-16(13-15)23-18(21)10-9-17(20)22-12-11-14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| InChIKey | LXIKUPAQABPHSL-UHFFFAOYSA-N |
| Mol Weight | 316.33 g/mol |
| Molecular Formula | C18H17FO4 |
| Exact Mass | 316.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mmu8bdRtA7 |
|---|---|
| Name | Succinic acid, phenethyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.111087186 u |
| Formula | C18H17FO4 |
| InChI | InChI=1S/C18H17FO4/c19-15-7-4-8-16(13-15)23-18(21)10-9-17(20)22-12-11-14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| InChIKey | LXIKUPAQABPHSL-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | C1=CC=C(C=C1F)OC(CCC(OCCC1=CC=CC=C1)=O)=O |