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Hexestrol, o-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

Hexestrol, o-pentafluoropropionyl-
SpectraBase Compound ID H7SwF0054G1
InChI InChI=1S/C21H21F5O3/c1-3-17(13-5-9-15(27)10-6-13)18(4-2)14-7-11-16(12-8-14)29-19(28)20(22,23)21(24,25)26/h5-12,17-18,27H,3-4H2,1-2H3
InChIKey PBNZNYZJPRQBPR-UHFFFAOYSA-N
Mol Weight 416.39 g/mol
Molecular Formula C21H21F5O3
Exact Mass 416.141085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NU2gpQJYpn
Name Hexestrol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
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Exact Mass 416.141085348 u
Formula C21H21F5O3
InChI InChI=1S/C21H21F5O3/c1-3-17(13-5-9-15(27)10-6-13)18(4-2)14-7-11-16(12-8-14)29-19(28)20(22,23)21(24,25)26/h5-12,17-18,27H,3-4H2,1-2H3
InChIKey PBNZNYZJPRQBPR-UHFFFAOYSA-N
Molecular Weight 416.388 g/mol
SMILES C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(CC)C(C1=CC=C(C=C1)O)CC