| SpectraBase Compound ID | 44YomGq2VNT |
|---|---|
| InChI | InChI=1S/C18H19F5O4/c19-14-11(15(20)17(22)18(23)16(14)21)9-27-13(25)7-6-12(24)26-8-10-4-2-1-3-5-10/h10H,1-9H2 |
| InChIKey | ZHMZQTHUPDJPEM-UHFFFAOYSA-N |
| Mol Weight | 394.34 g/mol |
| Molecular Formula | C18H19F5O4 |
| Exact Mass | 394.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hqUKUBERp2 |
|---|---|
| Name | Succinic acid, cyclohexylmethyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.120349903 u |
| Formula | C18H19F5O4 |
| InChI | InChI=1S/C18H19F5O4/c19-14-11(15(20)17(22)18(23)16(14)21)9-27-13(25)7-6-12(24)26-8-10-4-2-1-3-5-10/h10H,1-9H2 |
| InChIKey | ZHMZQTHUPDJPEM-UHFFFAOYSA-N |
| Molecular Weight | 394.338 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |