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1-Bromo-2-(2',2'-bis(methoxycarbony)-4'-pentenyl)-4,4-bis(methoxycarbonyl)-6-methylenecyclohexene
SpectraBase Compound ID HAThR2V2bas
InChI InChI=1S/C20H25BrO8/c1-7-8-19(15(22)26-3,16(23)27-4)10-13-11-20(17(24)28-5,18(25)29-6)9-12(2)14(13)21/h7H,1-2,8-11H2,3-6H3
InChIKey MVDTUJVSCCDNMK-UHFFFAOYSA-N
Mol Weight 473.32 g/mol
Molecular Formula C20H25BrO8
Exact Mass 472.073281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lXVTIVAY65
Name 1-Bromo-2-(2',2'-bis(methoxycarbony)-4'-pentenyl)-4,4-bis(methoxycarbonyl)-6-methylenecyclohexene
Alternate Name(s) 3-[2,2-bis(methoxycarbonyl)pent-4-enyl]-4-bromo-5-methylenecyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl 3-[2,2-bis(methoxycarbonyl)pent-4-enyl]-4-bromo-5-methylidenecyclohex-3-ene-1,1-dicarboxylate dimethyl 3-[2,2-bis(methoxycarbonyl)pent-4-enyl]-4-bromo-5-methylene-cyclohex-3-ene-1,1-dicarboxylate dimethyl 3-[2,2-bis(methoxycarbonyl)pent-4-enyl]-4-bromanyl-5-methylidene-cyclohex-3-ene-1,1-dicarboxylate
Comments Removed - expert review: contamination (acetone))
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Formula C20H25BrO8
InChI InChI=1S/C20H25BrO8/c1-7-8-19(15(22)26-3,16(23)27-4)10-13-11-20(17(24)28-5,18(25)29-6)9-12(2)14(13)21/h7H,1-2,8-11H2,3-6H3
InChIKey MVDTUJVSCCDNMK-UHFFFAOYSA-N
Molecular Weight 473.316 g/mol
SMILES C1(CC(CC(C(=O)OC)(C(=O)OC)CC=C)=C(C(C1)=C)Br)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-9000000000-bddfa9b8cb7bdfc0383f
Source of Spectrum J-65-8540-37
Wiley ID 1533861