| SpectraBase Compound ID | 9fo2MFiHab2 |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-13(2)5-4-12-21-16(19)6-3-7-17(20)22-15-10-8-14(18)9-11-15/h8-11,13H,3-7,12H2,1-2H3 |
| InChIKey | GUYIDAASEHGRHK-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4SwD6Vb0aX |
|---|---|
| Name | Glutaric acid, 4-chlorophenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-13(2)5-4-12-21-16(19)6-3-7-17(20)22-15-10-8-14(18)9-11-15/h8-11,13H,3-7,12H2,1-2H3 |
| InChIKey | GUYIDAASEHGRHK-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=C(C=C1)Cl)=O)=O |