SpectraBase Compound ID | IgkiTFMX01G |
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InChI | InChI=1S/C12H16ClF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2 |
InChIKey | VINASGSKHLWKGN-UHFFFAOYSA-N |
Mol Weight | 360.7 g/mol |
Molecular Formula | C12H16ClF7O2 |
Exact Mass | 360.072705 g/mol |
SpectraBase Spectrum ID | HKnB42uCWtW |
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Name | 8-Chloro-1-octanol, heptafluorobutyrate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 360.072704594 u |
Formula | C12H16ClF7O2 |
InChI | InChI=1S/C12H16ClF7O2/c13-7-5-3-1-2-4-6-8-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-8H2 |
InChIKey | VINASGSKHLWKGN-UHFFFAOYSA-N |
Molecular Weight | 360.700 g/mol |
SMILES | C(Cl)CCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |