| SpectraBase Compound ID | 8B0Pxy30E1K |
|---|---|
| InChI | InChI=1S/C17H33ClO2/c1-15(14-17(2,3)4)13-16(19)20-12-10-8-6-5-7-9-11-18/h15H,5-14H2,1-4H3 |
| InChIKey | YHNYVZKZNOIRKW-UHFFFAOYSA-N |
| Mol Weight | 304.9 g/mol |
| Molecular Formula | C17H33ClO2 |
| Exact Mass | 304.216908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DRUFjbRE0f |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.216908001 u |
| Formula | C17H33ClO2 |
| InChI | InChI=1S/C17H33ClO2/c1-15(14-17(2,3)4)13-16(19)20-12-10-8-6-5-7-9-11-18/h15H,5-14H2,1-4H3 |
| InChIKey | YHNYVZKZNOIRKW-UHFFFAOYSA-N |
| Molecular Weight | 304.902 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)(CC(C)(C)C)C |