![[(1'S)-2'-Methyl-1'-phenylpropyl]2-chloro-2-fluoroacetate](/api/spectrum/DtWydULprgA/structure.png?h=300&w=458 "[(1'S)-2'-Methyl-1'-phenylpropyl]2-chloro-2-fluoroacetate")
| SpectraBase Compound ID | 8c6dtPTIfcF |
|---|---|
| InChI | InChI=1S/C12H14ClFO2/c1-8(2)10(16-12(15)11(13)14)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3 |
| InChIKey | FZDAGPGYLWWTJK-UHFFFAOYSA-N |
| Mol Weight | 244.69 g/mol |
| Molecular Formula | C12H14ClFO2 |
| Exact Mass | 244.066636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtWydULprgA |
|---|---|
| Name | [(1'S)-2'-Methyl-1'-phenylpropyl]2-chloro-2-fluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.066635552 u |
| Formula | C12H14ClFO2 |
| InChI | InChI=1S/C12H14ClFO2/c1-8(2)10(16-12(15)11(13)14)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3 |
| InChIKey | FZDAGPGYLWWTJK-UHFFFAOYSA-N |
| Molecular Weight | 244.693 g/mol |
| SMILES | C(OC(C=1C=CC=CC1)C(C)C)(C(Cl)F)=O |