| SpectraBase Compound ID | 7sVwRLZ2CvB |
|---|---|
| InChI | InChI=1S/C16H27ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-6-4-5-7-14(13)17/h11-14H,4-10H2,1-3H3 |
| InChIKey | ZCGQEJODSGNIFP-UHFFFAOYSA-N |
| Mol Weight | 318.84 g/mol |
| Molecular Formula | C16H27ClO4 |
| Exact Mass | 318.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87lBn4Wj1ja |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl (2-chlorocyclohexyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.159787045 u |
| Formula | C16H27ClO4 |
| InChI | InChI=1S/C16H27ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-6-4-5-7-14(13)17/h11-14H,4-10H2,1-3H3 |
| InChIKey | ZCGQEJODSGNIFP-UHFFFAOYSA-N |
| Molecular Weight | 318.841 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCC1CCCCC1Cl)=O |