| SpectraBase Compound ID | CRS3iTvRsNO |
|---|---|
| InChI | InChI=1S/C17H15FO4/c1-2-10-21-16(19)12-6-5-7-13(11-12)17(20)22-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3 |
| InChIKey | QWAUQVRHWYHWTQ-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C17H15FO4 |
| Exact Mass | 302.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeNk6hCVZEb |
|---|---|
| Name | Isophthalic acid, 2-fluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.095437122 u |
| Formula | C17H15FO4 |
| InChI | InChI=1S/C17H15FO4/c1-2-10-21-16(19)12-6-5-7-13(11-12)17(20)22-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3 |
| InChIKey | QWAUQVRHWYHWTQ-UHFFFAOYSA-N |
| Molecular Weight | 302.301 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCC)=O |