| SpectraBase Compound ID | EQqr5rJ8cQY |
|---|---|
| InChI | InChI=1S/C18H17FO5/c1-3-10-23-17(20)12-4-6-13(7-5-12)18(21)24-15-9-8-14(19)11-16(15)22-2/h4-9,11H,3,10H2,1-2H3 |
| InChIKey | OEGDICHOJHOVDU-UHFFFAOYSA-N |
| Mol Weight | 332.33 g/mol |
| Molecular Formula | C18H17FO5 |
| Exact Mass | 332.106002 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HHk0Xif9Sj |
|---|---|
| Name | Terephthalic acid, 4-fluoro-2-methoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.106001805 u |
| Formula | C18H17FO5 |
| InChI | InChI=1S/C18H17FO5/c1-3-10-23-17(20)12-4-6-13(7-5-12)18(21)24-15-9-8-14(19)11-16(15)22-2/h4-9,11H,3,10H2,1-2H3 |
| InChIKey | OEGDICHOJHOVDU-UHFFFAOYSA-N |
| Molecular Weight | 332.327 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=C(C=C(C=C1)F)OC)=O |