| SpectraBase Compound ID | LMI6YbkkThS |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14-7-6-10-17(15(14)2)23-19(21)12-11-18(20)22-13-16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3 |
| InChIKey | IRCNTFJRJMCDQY-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfltsCilZbc |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-14-7-6-10-17(15(14)2)23-19(21)12-11-18(20)22-13-16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3 |
| InChIKey | IRCNTFJRJMCDQY-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OC1=C(C(C)=CC=C1)C)=O |