| SpectraBase Compound ID | FJJa83V4kLH |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-12(2)5-4-10-21-16(19)8-9-17(20)22-15-11-13(3)6-7-14(15)18/h6-7,11-12H,4-5,8-10H2,1-3H3 |
| InChIKey | ZFWJOZYDQHLGDD-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 | 2k4Zpq3BXoe |
|---|---|
| Name | Succinic acid, 2-chloro-5-methylphenyl 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/c1-12(2)5-4-10-21-16(19)8-9-17(20)22-15-11-13(3)6-7-14(15)18/h6-7,11-12H,4-5,8-10H2,1-3H3 |
| InChIKey | ZFWJOZYDQHLGDD-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCC(C)C)=O)=O |