| SpectraBase Compound ID | 2FixgZPd0pV |
|---|---|
| InChI | InChI=1S/C18H25FO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3 |
| InChIKey | DRVDSCIQENTQLZ-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C18H25FO4 |
| Exact Mass | 324.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rIgODxczql |
|---|---|
| Name | Succinic acid, 3-fluorobenzyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.173687444 u |
| Formula | C18H25FO4 |
| InChI | InChI=1S/C18H25FO4/c1-4-6-16(13(2)3)23-18(21)10-9-17(20)22-12-14-7-5-8-15(19)11-14/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3 |
| InChIKey | DRVDSCIQENTQLZ-UHFFFAOYSA-N |
| Molecular Weight | 324.392 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=CC1)F)=O)(OC(CCC)C(C)C)=O |