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Ethyl[(1S,2S,3S,4R)-2,4-Diformyl-3-(4-bromophenyl)cyclohexyl]acetate
SpectraBase Compound ID 1FoMvWim4Pq
InChI InChI=1S/C18H21BrO4/c1-2-23-17(22)9-13-3-4-14(10-20)18(16(13)11-21)12-5-7-15(19)8-6-12/h5-8,10-11,13-14,16,18H,2-4,9H2,1H3/t13-,14-,16-,18-/m0/s1
InChIKey VUJBQUMFIYHBMF-DNUAJFIVSA-N
Mol Weight 381.27 g/mol
Molecular Formula C18H21BrO4
Exact Mass 380.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fScfVJTbaj
Name Ethyl[(1S,2S,3S,4R)-2,4-Diformyl-3-(4-bromophenyl)cyclohexyl]acetate
Alternate Name(s) 2-[(1S,2S,3S,4R)-3-(4-bromophenyl)-2,4-diformylcyclohexyl]acetic acid ethyl ester Ethyl 2-[(1S,2S,3S,4R)-3-(4-bromophenyl)-2,4-diformylcyclohexyl]acetate Ethyl 2-[(1S,2S,3S,4R)-3-(4-bromophenyl)-2,4-diformyl-cyclohexyl]acetate Ethyl 2-[(1S,2S,3S,4R)-3-(4-bromophenyl)-2,4-dimethanoyl-cyclohexyl]ethanoate
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Formula C18H21BrO4
InChI InChI=1S/C18H21BrO4/c1-2-23-17(22)9-13-3-4-14(10-20)18(16(13)11-21)12-5-7-15(19)8-6-12/h5-8,10-11,13-14,16,18H,2-4,9H2,1H3/t13-,14-,16-,18-/m0/s1
InChIKey VUJBQUMFIYHBMF-DNUAJFIVSA-N
Molecular Weight 381.266 g/mol
SMILES [C@@]1([C@@](c2ccc(cc2)Br)([C@](C=O)(CC[C@]1(CC(=O)OCC)[H])[H])[H])(C=O)[H]
SPLASH splash10-014r-3922000000-71d967ab935876043d1a
Source of Spectrum F4-43-1890-3b
Wiley ID 1675692