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Hexestrol, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

Hexestrol, o-heptafluorobutyryl-
SpectraBase Compound ID 8LObZ6h8z8m
InChI InChI=1S/C22H21F7O3/c1-3-17(13-5-9-15(30)10-6-13)18(4-2)14-7-11-16(12-8-14)32-19(31)20(23,24)21(25,26)22(27,28)29/h5-12,17-18,30H,3-4H2,1-2H3
InChIKey KOOGTASJDLJLRS-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C22H21F7O3
Exact Mass 466.137892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eZuKH3rqL5
Name Hexestrol, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 466.137891674 u
Formula C22H21F7O3
InChI InChI=1S/C22H21F7O3/c1-3-17(13-5-9-15(30)10-6-13)18(4-2)14-7-11-16(12-8-14)32-19(31)20(23,24)21(25,26)22(27,28)29/h5-12,17-18,30H,3-4H2,1-2H3
InChIKey KOOGTASJDLJLRS-UHFFFAOYSA-N
Molecular Weight 466.396 g/mol
SMILES C1=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(CC)C(C1=CC=C(C=C1)O)CC