| SpectraBase Compound ID | 3sKzIURzWlP |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-22-16-10-5-6-11-17(16)24-19(21)13-7-12-18(20)23-14-15-8-3-2-4-9-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3 |
| InChIKey | ITKLQCHKEGPKAA-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XC1A3iK0yF |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-22-16-10-5-6-11-17(16)24-19(21)13-7-12-18(20)23-14-15-8-3-2-4-9-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3 |
| InChIKey | ITKLQCHKEGPKAA-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC1=CC=CC=C1OC)=O |