| SpectraBase Compound ID | M9XOSTX4xu |
|---|---|
| InChI | InChI=1S/C10H17ClF2O2/c1-4-6-7(3)8(5-2)15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | CZMRWOQEXOBUKA-UHFFFAOYSA-N |
| Mol Weight | 242.69 g/mol |
| Molecular Formula | C10H17ClF2O2 |
| Exact Mass | 242.088514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6jtJEo9KV5 |
|---|---|
| Name | 4-Methyl-3-heptanol, chlorodifluoroacetate (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.088513811 u |
| Formula | C10H17ClF2O2 |
| InChI | InChI=1S/C10H17ClF2O2/c1-4-6-7(3)8(5-2)15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | CZMRWOQEXOBUKA-UHFFFAOYSA-N |
| Molecular Weight | 242.694 g/mol |
| SMILES | CCCC(C(CC)OC(C(F)(F)Cl)=O)C |