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t-Butyl 7-[4-(4-fluorophenyl)-2-cyclopropylquinolin-3-y]-3,5-syn-isopropylidenedioxy-6-heptenoate

View entire compound with spectra: 4 MS (GC)

t-Butyl 7-[4-(4-fluorophenyl)-2-cyclopropylquinolin-3-y]-3,5-syn-isopropylidenedioxy-6-heptenoate
SpectraBase Compound ID JuQd5zCxDBV
InChI InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+/t23-,24-/m1/s1
InChIKey GTJPCLUSFUIHTP-KAAYJFPCSA-N
Mol Weight 517.6 g/mol
Molecular Formula C32H36FNO4
Exact Mass 517.262837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66SXfHzWv9w
Name t-Butyl 7-[4-(4-fluorophenyl)-2-cyclopropylquinolin-3-y]-3,5-syn-isopropylidenedioxy-6-heptenoate
Alternate Name(s) ((4R,6S)-6-{(E)-2-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester t-Butyl (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate t-Butyl (3S*,5R*,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate t-Butyl (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-Isopropylidenedioxy-6-heptynoate tert-Butyl ((4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate 2-[(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester tert-Butyl 2-[(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate tert-Butyl 2-[(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate tert-Butyl 2-[(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate
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Formula C32H36FNO4
InChI InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+/t23-,24-/m1/s1
InChIKey GTJPCLUSFUIHTP-KAAYJFPCSA-N
Molecular Weight 517.641 g/mol
SMILES c1(c(nc2c(c1-c1ccc(cc1)F)cccc2)C1CC1)\C=C\[C@]1(OC(C)(C)O[C@](C1)(CC(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-0a73-5091100000-6ecfbef47a65c86b95f2
Source of Spectrum AJ-68-2655-2
Wiley ID 773401