| SpectraBase Compound ID | BQCI9YzFTzS |
|---|---|
| InChI | InChI=1S/C16H29ClO4/c1-2-3-13-20-15(18)10-6-7-11-16(19)21-14-9-5-4-8-12-17/h2-14H2,1H3 |
| InChIKey | NOLUJSNRNDQYTE-UHFFFAOYSA-N |
| Mol Weight | 320.86 g/mol |
| Molecular Formula | C16H29ClO4 |
| Exact Mass | 320.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39GHL28ho6X |
|---|---|
| Name | Adipic acid, butyl 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.175437110 u |
| Formula | C16H29ClO4 |
| InChI | InChI=1S/C16H29ClO4/c1-2-3-13-20-15(18)10-6-7-11-16(19)21-14-9-5-4-8-12-17/h2-14H2,1H3 |
| InChIKey | NOLUJSNRNDQYTE-UHFFFAOYSA-N |
| Molecular Weight | 320.857 g/mol |
| SMILES | C(CCC(=O)OCCCCCCCl)CC(OCCCC)=O |