| SpectraBase Compound ID | KEdRxWCDCE5 |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-4-6-7-14(5-2)22-17(20)10-11-18(21)23-15-8-9-16(19)13(3)12-15/h8-9,12,14H,4-7,10-11H2,1-3H3 |
| InChIKey | MBIRYVMSUWNBHD-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0QYwkFqaxV |
|---|---|
| Name | Succinic acid, 4-chloro-3-methylphenyl 3-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-4-6-7-14(5-2)22-17(20)10-11-18(21)23-15-8-9-16(19)13(3)12-15/h8-9,12,14H,4-7,10-11H2,1-3H3 |
| InChIKey | MBIRYVMSUWNBHD-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC(CCCC)CC)=O |