| SpectraBase Compound ID | 3zwhf5rvFaC |
|---|---|
| InChI | InChI=1S/C18H17FO4/c1-12-6-7-16(10-13(12)2)23-18(21)9-8-17(20)22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3 |
| InChIKey | ONSZBYABVUYXOH-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 | EELmQAavswI |
|---|---|
| Name | Succinic acid, 3,4-dimethylphenyl 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/c1-12-6-7-16(10-13(12)2)23-18(21)9-8-17(20)22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3 |
| InChIKey | ONSZBYABVUYXOH-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | C1=C(C=C(C(=C1)C)C)OC(=O)CCC(=O)OC1=CC=CC(=C1)F |