| SpectraBase Compound ID | KZkU5GRpYU4 |
|---|---|
| InChI | InChI=1S/C19H33ClO4/c1-3-4-5-9-15(2)24-19(22)13-8-12-18(21)23-14-16-10-6-7-11-17(16)20/h15-17H,3-14H2,1-2H3 |
| InChIKey | YRFAQQBKVGKZJD-UHFFFAOYSA-N |
| Mol Weight | 360.9 g/mol |
| Molecular Formula | C19H33ClO4 |
| Exact Mass | 360.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rGnUzUuy4G |
|---|---|
| Name | Glutaric acid, (2-chlorocyclohexyl)methyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.206737239 u |
| Formula | C19H33ClO4 |
| InChI | InChI=1S/C19H33ClO4/c1-3-4-5-9-15(2)24-19(22)13-8-12-18(21)23-14-16-10-6-7-11-17(16)20/h15-17H,3-14H2,1-2H3 |
| InChIKey | YRFAQQBKVGKZJD-UHFFFAOYSA-N |
| Molecular Weight | 360.922 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC1C(CCCC1)Cl)=O |