| SpectraBase Compound ID | 8uvkB8EeVfo |
|---|---|
| InChI | InChI=1S/C10H17ClO4/c1-9(12)15-8-10(13)14-7-5-3-2-4-6-11/h2-8H2,1H3 |
| InChIKey | IBJWPLYWNWKTOV-UHFFFAOYSA-N |
| Mol Weight | 236.69 g/mol |
| Molecular Formula | C10H17ClO4 |
| Exact Mass | 236.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ET7JHem8q6 |
|---|---|
| Name | Acetoxyacetic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.081536723 u |
| Formula | C10H17ClO4 |
| InChI | InChI=1S/C10H17ClO4/c1-9(12)15-8-10(13)14-7-5-3-2-4-6-11/h2-8H2,1H3 |
| InChIKey | IBJWPLYWNWKTOV-UHFFFAOYSA-N |
| Molecular Weight | 236.695 g/mol |
| SMILES | C(COC(C)=O)(OCCCCCCCl)=O |