| SpectraBase Compound ID | nOBQ4NHQ4z |
|---|---|
| InChI | InChI=1S/C19H18F2O4/c1-2-3-4-8-24-18(22)13-6-5-7-14(9-13)19(23)25-17-11-15(20)10-16(21)12-17/h5-7,9-12H,2-4,8H2,1H3 |
| InChIKey | AWIVKAIDODABDA-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C19H18F2O4 |
| Exact Mass | 348.117315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G1Oxn6bE1Sa |
|---|---|
| Name | Isophthalic acid, 3,5-difluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.117315382 u |
| Formula | C19H18F2O4 |
| InChI | InChI=1S/C19H18F2O4/c1-2-3-4-8-24-18(22)13-6-5-7-14(9-13)19(23)25-17-11-15(20)10-16(21)12-17/h5-7,9-12H,2-4,8H2,1H3 |
| InChIKey | AWIVKAIDODABDA-UHFFFAOYSA-N |
| Molecular Weight | 348.346 g/mol |
| SMILES | C1(=CC(=CC(=C1)F)F)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O |