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Dimethyl (1.alpha.,1a.beta.,2.alpha.,2a.beta.,5.alpha.,6.beta.,7.alpha.,9a.beta.,9b.beta.)-dibromo-1a,2,2a,5,6,7,9a,9b-octahydro-1,5,7-metheno-1H-cyclopropa[3,4]cyclopenta[1,2]cyclononene-3,9-dicarboxylate
SpectraBase Compound ID s3DOYw75kE
InChI InChI=1S/C18H18Br2O4/c1-23-17(21)7-3-5-9-6(15(5)19)4-8(18(22)24-2)11-10(7)13-12(9)14(13)16(11)20/h3-6,9-16H,1-2H3/b8-4-/t5-,6+,9+,10-,11+,12+,13-,14+,15-,16+/m0/s1
InChIKey SSRWXQIBTIMKKQ-WEDWNYELSA-N
Mol Weight 458.15 g/mol
Molecular Formula C18H18Br2O4
Exact Mass 455.957185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiTgLx5yB1i
Name Dimethyl (1.alpha.,1a.beta.,2.alpha.,2a.beta.,5.alpha.,6.beta.,7.alpha.,9a.beta.,9b.beta.)-dibromo-1a,2,2a,5,6,7,9a,9b-octahydro-1,5,7-metheno-1H-cyclopropa[3,4]cyclopenta[1,2]cyclononene-3,9-dicarboxylate
CAS Registry Number 113627-87-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18Br2O4
InChI InChI=1S/C18H18Br2O4/c1-23-17(21)7-3-5-9-6(15(5)19)4-8(18(22)24-2)11-10(7)13-12(9)14(13)16(11)20/h3-6,9-16H,1-2H3/b8-4-/t5-,6+,9+,10-,11+,12+,13-,14+,15-,16+/m0/s1
InChIKey SSRWXQIBTIMKKQ-WEDWNYELSA-N
Molecular Weight 458.146 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@]5([H])C=C([C@]2([C@@](\C(C(=O)OC)=C\[C@]4([C@]5(Br)[H])[H])([C@]([C@@]13[H])(Br)[H])[H])[H])C(=O)OC)[H])[H])[H]
SPLASH splash10-004i-2931000000-0e7c88b2cabe28a6a59e
Source of Spectrum C-110-3271-38
Wiley ID 1389169