| SpectraBase Compound ID | 2m8ep0pQUBH |
|---|---|
| InChI | InChI=1S/C21H30F2O4/c1-2-3-4-5-6-7-8-14-26-20(24)10-9-11-21(25)27-16-17-12-13-18(22)19(23)15-17/h12-13,15H,2-11,14,16H2,1H3 |
| InChIKey | NZZBPHJWULUULG-UHFFFAOYSA-N |
| Mol Weight | 384.46 g/mol |
| Molecular Formula | C21H30F2O4 |
| Exact Mass | 384.211216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7EVGlcewe0 |
|---|---|
| Name | Glutaric acid, 3,4-difluorobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.211215768 u |
| Formula | C21H30F2O4 |
| InChI | InChI=1S/C21H30F2O4/c1-2-3-4-5-6-7-8-14-26-20(24)10-9-11-21(25)27-16-17-12-13-18(22)19(23)15-17/h12-13,15H,2-11,14,16H2,1H3 |
| InChIKey | NZZBPHJWULUULG-UHFFFAOYSA-N |
| Molecular Weight | 384.464 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)F)F)(=O)CCCC(OCCCCCCCCC)=O |