| SpectraBase Compound ID | DzmkcwQtDkr |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-14(2)15(3)22-17(20)11-10-16(19)21-13-9-7-5-4-6-8-12-18/h14-15H,4-13H2,1-3H3 |
| InChIKey | LFKGCNLFCDJZJX-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PT2pEK4AuA |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.191087174 u |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-14(2)15(3)22-17(20)11-10-16(19)21-13-9-7-5-4-6-8-12-18/h14-15H,4-13H2,1-3H3 |
| InChIKey | LFKGCNLFCDJZJX-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC(C(C)C)C)=O |