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2-[2',2'-bis(Ethoxycarbonyl)-4'-bromo[pent-4'-enyl]-1-dmethylamino-(endo)-6-hydroxybicyclo[3.3.0]oct-2-en-4-one
SpectraBase Compound ID 8ZugBdyitlo
InChI InChI=1S/C21H30BrNO6/c1-6-28-18(26)20(11-13(3)22,19(27)29-7-2)12-14-10-16(25)17-15(24)8-9-21(14,17)23(4)5/h10,15,17,24H,3,6-9,11-12H2,1-2,4-5H3
InChIKey YSQMAFFCZIEFTO-UHFFFAOYSA-N
Mol Weight 472.38 g/mol
Molecular Formula C21H30BrNO6
Exact Mass 471.125651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1c4WOa294G
Name 2-[2',2'-bis(Ethoxycarbonyl)-4'-bromo[pent-4'-enyl]-1-dmethylamino-(endo)-6-hydroxybicyclo[3.3.0]oct-2-en-4-one
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Formula C21H30BrNO6
InChI InChI=1S/C21H30BrNO6/c1-6-28-18(26)20(11-13(3)22,19(27)29-7-2)12-14-10-16(25)17-15(24)8-9-21(14,17)23(4)5/h10,15,17,24H,3,6-9,11-12H2,1-2,4-5H3
InChIKey YSQMAFFCZIEFTO-UHFFFAOYSA-N
Molecular Weight 472.376 g/mol
SMILES OC1C2C(C(CC(C(=O)OCC)(C(=O)OCC)CC(=C)Br)=CC2=O)(CC1)N(C)C
SPLASH splash10-0006-1907100000-3864400e1271b26f1cd4
Source of Spectrum U1-1999-2030-0
Wiley ID 814991