| SpectraBase Compound ID | HhhxkBTX4mh |
|---|---|
| InChI | InChI=1S/C17H21FO4/c1-12-6-8-13(9-7-12)21-16(19)10-11-17(20)22-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3 |
| InChIKey | LQOSKFXKEMTLOU-UHFFFAOYSA-N |
| Mol Weight | 308.35 g/mol |
| Molecular Formula | C17H21FO4 |
| Exact Mass | 308.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMNvaSEOwKK |
|---|---|
| Name | Succinic acid, 2-fluorophenyl cis-4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.142387315 u |
| Formula | C17H21FO4 |
| InChI | InChI=1S/C17H21FO4/c1-12-6-8-13(9-7-12)21-16(19)10-11-17(20)22-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3 |
| InChIKey | LQOSKFXKEMTLOU-UHFFFAOYSA-N |
| Molecular Weight | 308.349 g/mol |
| SMILES | C(CC(OC1=CC=CC=C1F)=O)C(OC1CCC(C)CC1)=O |