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[1'R-(1'.alpha.,2'.beta.,5'.alpha.)]-6,8-Dibromo-5,7-dimethoxy-6,6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane)-4(3H)-one

View entire compound with spectra: 1 MS (GC)

[1'R-(1'.alpha.,2'.beta.,5'.alpha.)]-6,8-Dibromo-5,7-dimethoxy-6,6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane)-4(3H)-one
SpectraBase Compound ID E6CwIyN4Pkq
InChI InChI=1S/C19H22Br2O4/c1-18(2)9-5-6-19(11(18)7-9)8-10(22)12-15(23-3)13(20)17(24-4)14(21)16(12)25-19/h9,11H,5-8H2,1-4H3/t9-,11?,19+/m1/s1
InChIKey JQTYXSOVSKYIJS-QHYQDLAZSA-N
Mol Weight 474.19 g/mol
Molecular Formula C19H22Br2O4
Exact Mass 471.988485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57HBCOPtMrZ
Name [1'R-(1'.alpha.,2'.beta.,5'.alpha.)]-6,8-Dibromo-5,7-dimethoxy-6,6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane)-4(3H)-one
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Formula C19H22Br2O4
InChI InChI=1S/C19H22Br2O4/c1-18(2)9-5-6-19(11(18)7-9)8-10(22)12-15(23-3)13(20)17(24-4)14(21)16(12)25-19/h9,11H,5-8H2,1-4H3/t9-,11?,19+/m1/s1
InChIKey JQTYXSOVSKYIJS-QHYQDLAZSA-N
Molecular Weight 474.189 g/mol
SMILES c12c(O[C@@]3(CC2=O)C2C(C)(C)[C@](CC3)(C2)[H])c(Br)c(c(c1OC)Br)OC
SPLASH splash10-000l-3009000000-94e00554c4d2b6166267
Source of Spectrum J-59-6701-10
Synonyms (2S)-6,8-dibromo-5,7-dimethoxy-6',6'-dimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-4-one
Wiley ID 1393227