| SpectraBase Compound ID | IBF6tEHyaed |
|---|---|
| InChI | InChI=1S/C8H15ClO3/c1-7(3-4-11-2)6-12-8(10)5-9/h7H,3-6H2,1-2H3 |
| InChIKey | IODHLYFOVDUSHK-UHFFFAOYSA-N |
| Mol Weight | 194.66 g/mol |
| Molecular Formula | C8H15ClO3 |
| Exact Mass | 194.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GyMm5ZqsNv |
|---|---|
| Name | Chloroacetic acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.070972040 u |
| Formula | C8H15ClO3 |
| InChI | InChI=1S/C8H15ClO3/c1-7(3-4-11-2)6-12-8(10)5-9/h7H,3-6H2,1-2H3 |
| InChIKey | IODHLYFOVDUSHK-UHFFFAOYSA-N |
| Molecular Weight | 194.658 g/mol |
| SMILES | C(C(=O)OCC(CCOC)C)Cl |