| SpectraBase Compound ID | 1Q5EtwFhYBc |
|---|---|
| InChI | InChI=1S/C18H23ClO4/c19-15-8-4-9-16(12-15)23-18(21)11-5-10-17(20)22-13-14-6-2-1-3-7-14/h4,8-9,12,14H,1-3,5-7,10-11,13H2 |
| InChIKey | XFVBAGCVRSYIOY-UHFFFAOYSA-N |
| Mol Weight | 338.83 g/mol |
| Molecular Formula | C18H23ClO4 |
| Exact Mass | 338.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Fx3sKXTgCT |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.128486917 u |
| Formula | C18H23ClO4 |
| InChI | InChI=1S/C18H23ClO4/c19-15-8-4-9-16(12-15)23-18(21)11-5-10-17(20)22-13-14-6-2-1-3-7-14/h4,8-9,12,14H,1-3,5-7,10-11,13H2 |
| InChIKey | XFVBAGCVRSYIOY-UHFFFAOYSA-N |
| Molecular Weight | 338.831 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC1=CC=CC(=C1)Cl)=O |