| SpectraBase Compound ID | 5QQBZJnF6kC |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h7-8,12H,3-6,9-11H2,1-2H3 |
| InChIKey | SRFPSDWLGTVBML-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 | ID5Sq9AiG36 |
|---|---|
| Name | Succinic acid, 4-CHLORO3-methylphenyl hexyl 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/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h7-8,12H,3-6,9-11H2,1-2H3 |
| InChIKey | SRFPSDWLGTVBML-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(C(OC1=CC=C(C(=C1)C)Cl)=O)CC(OCCCCCC)=O |