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3-[2,2-bis(methoxycarbonyl)tridec-12-enyl]-4-bromo-5-methylenecyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID OEg4v1aSE
InChI InChI=1S/C28H41BrO8/c1-7-8-9-10-11-12-13-14-15-16-27(23(30)34-3,24(31)35-4)18-21-19-28(25(32)36-5,26(33)37-6)17-20(2)22(21)29/h7H,1-2,8-19H2,3-6H3
InChIKey FNMWXTRVMGJKKY-UHFFFAOYSA-N
Mol Weight 585.5 g/mol
Molecular Formula C28H41BrO8
Exact Mass 584.198481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYZxX84jG81
Name 3-[2,2-bis(methoxycarbonyl)tridec-12-enyl]-4-bromo-5-methylenecyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C28H41BrO8
InChI InChI=1S/C28H41BrO8/c1-7-8-9-10-11-12-13-14-15-16-27(23(30)34-3,24(31)35-4)18-21-19-28(25(32)36-5,26(33)37-6)17-20(2)22(21)29/h7H,1-2,8-19H2,3-6H3
InChIKey FNMWXTRVMGJKKY-UHFFFAOYSA-N
Molecular Weight 585.532 g/mol
SMILES C1(CC(CC(C(=O)OC)(C(=O)OC)CCCCCCCCCC=C)=C(C(C1)=C)Br)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0000900000-2be7624180aa915c0288
Source of Spectrum J-65-8542-73
Synonyms 4-bromo-3-(2,2-dicarbomethoxytridec-12-enyl)-5-methylene-cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl 3-[2,2-bis(methoxycarbonyl)tridec-12-enyl]-4-bromanyl-5-methylidene-cyclohex-3-ene-1,1-dicarboxylate dimethyl 3-[2,2-bis(methoxycarbonyl)tridec-12-enyl]-4-bromo-5-methylene-cyclohex-3-ene-1,1-dicarboxylate dimethyl 3-[2,2-bis(methoxycarbonyl)tridec-12-enyl]-4-bromo-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
Wiley ID 1533964