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(3S/R,4R/S,1'S,3'R,4'R,6'R)-3-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-1,4-diphenylazetidin-2-one
SpectraBase Compound ID B9XH6eQYhXo
InChI InChI=1S/C27H32BrNO4/c1-26(2)20-14-22(28)27(3,15-21(20)26)33-24-23(16-6-10-18(31-4)11-7-16)29(25(24)30)17-8-12-19(32-5)13-9-17/h6-13,20-24H,14-15H2,1-5H3/t20-,21+,22-,23+,24-,27-/m1/s1
InChIKey GNMNYLNGSMEYGR-DBQVCQLHSA-N
Mol Weight 514.5 g/mol
Molecular Formula C27H32BrNO4
Exact Mass 513.151472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ArnhBEmRUs
Name (3S/R,4R/S,1'S,3'R,4'R,6'R)-3-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-1,4-diphenylazetidin-2-one
Alternate Name(s) (3S/R,4R/S,1'S,3'R,4'R,6'R)-3-[4'-Bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-1,4-p-methoxydiphenylazetidin-2-one
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Formula C27H32BrNO4
InChI InChI=1S/C27H32BrNO4/c1-26(2)20-14-22(28)27(3,15-21(20)26)33-24-23(16-6-10-18(31-4)11-7-16)29(25(24)30)17-8-12-19(32-5)13-9-17/h6-13,20-24H,14-15H2,1-5H3/t20-,21+,22-,23+,24-,27-/m1/s1
InChIKey GNMNYLNGSMEYGR-DBQVCQLHSA-N
Molecular Weight 514.460 g/mol
SMILES C1(N([C@]([C@]1(O[C@@]1(C[C@@]2(C(C)(C)[C@@]2(C[C@]1(Br)[H])[H])[H])C)[H])(c1ccc(cc1)OC)[H])c1ccc(cc1)OC)=O
SPLASH splash10-007o-7920000000-9b932931354b91eb563f
Source of Spectrum QC-11-1483-6
Wiley ID 859792