| SpectraBase Compound ID | KgMFmFzXO1x |
|---|---|
| InChI | InChI=1S/C12H7Cl2F7O2/c13-7-2-1-6(8(14)5-7)3-4-23-9(22)10(15,16)11(17,18)12(19,20)21/h1-2,5H,3-4H2 |
| InChIKey | LWVUEQHJHRZGKR-UHFFFAOYSA-N |
| Mol Weight | 387.08 g/mol |
| Molecular Formula | C12H7Cl2F7O2 |
| Exact Mass | 385.971132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8taLOahSpjv |
|---|---|
| Name | 2,4-Dichlorophenethyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.971132004 u |
| Formula | C12H7Cl2F7O2 |
| InChI | InChI=1S/C12H7Cl2F7O2/c13-7-2-1-6(8(14)5-7)3-4-23-9(22)10(15,16)11(17,18)12(19,20)21/h1-2,5H,3-4H2 |
| InChIKey | LWVUEQHJHRZGKR-UHFFFAOYSA-N |
| Molecular Weight | 387.081 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)Cl)CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |