| SpectraBase Compound ID | KqRtRWD4Vpz |
|---|---|
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-9-10-11-18-27-22(25)16-13-17-23(26)28-21-15-12-14-20(24)19-21/h12,14-15,19H,2-11,13,16-18H2,1H3 |
| InChIKey | NTRSKYRHGZWNKA-UHFFFAOYSA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C23H35FO4 |
| Exact Mass | 394.251938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHifeSkDi0f |
|---|---|
| Name | Glutaric acid, dodecyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.251937766 u |
| Formula | C23H35FO4 |
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-5-6-7-8-9-10-11-18-27-22(25)16-13-17-23(26)28-21-15-12-14-20(24)19-21/h12,14-15,19H,2-11,13,16-18H2,1H3 |
| InChIKey | NTRSKYRHGZWNKA-UHFFFAOYSA-N |
| Molecular Weight | 394.527 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)F)=O)=O |