| SpectraBase Compound ID | JxR9Jm1w5C |
|---|---|
| InChI | InChI=1S/C16H27ClO4/c1-2-3-4-7-11-20-15(18)13-8-5-6-9-14(13)16(19)21-12-10-17/h13-14H,2-12H2,1H3 |
| InChIKey | ZQWQNQKPBZBMTF-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 | 1T3B67gcpUK |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl hexyl 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/c1-2-3-4-7-11-20-15(18)13-8-5-6-9-14(13)16(19)21-12-10-17/h13-14H,2-12H2,1H3 |
| InChIKey | ZQWQNQKPBZBMTF-UHFFFAOYSA-N |
| Molecular Weight | 318.841 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCC)=O |