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1-[(2-bromo-5,5-dicarbomethoxy-3-methylene-cyclohexen-1-yl)methyl]nonadec-18-ene-1,1,8,8-tetracarboxylic acid tetramethyl ester
SpectraBase Compound ID EAXF20IucVX
InChI InChI=1S/C39H59BrO12/c1-9-10-11-12-13-14-15-16-19-22-37(31(41)47-3,32(42)48-4)23-20-17-18-21-24-38(33(43)49-5,34(44)50-6)26-29-27-39(35(45)51-7,36(46)52-8)25-28(2)30(29)40/h9H,1-2,10-27H2,3-8H3
InChIKey DNWGFEJIVRGWIZ-UHFFFAOYSA-N
Mol Weight 799.8 g/mol
Molecular Formula C39H59BrO12
Exact Mass 798.31899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcpomhKXUp7
Name 1-[(2-bromo-5,5-dicarbomethoxy-3-methylene-cyclohexen-1-yl)methyl]nonadec-18-ene-1,1,8,8-tetracarboxylic acid tetramethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C39H59BrO12
InChI InChI=1S/C39H59BrO12/c1-9-10-11-12-13-14-15-16-19-22-37(31(41)47-3,32(42)48-4)23-20-17-18-21-24-38(33(43)49-5,34(44)50-6)26-29-27-39(35(45)51-7,36(46)52-8)25-28(2)30(29)40/h9H,1-2,10-27H2,3-8H3
InChIKey DNWGFEJIVRGWIZ-UHFFFAOYSA-N
Molecular Weight 799.793 g/mol
SMILES C1(CC(CC(C(=O)OC)(C(=O)OC)CCCCCCC(C(=O)OC)(C(=O)OC)CCCCCCCCCC=C)=C(C(C1)=C)Br)(C(=O)OC)C(=O)OC
SPLASH splash10-00kb-0900000600-389ac99fe931d5d2600e
Source of Spectrum J-65-8542-72
Synonyms 1-[[2-bromo-5,5-bis(methoxycarbonyl)-3-methylene-1-cyclohexenyl]methyl]-18-nonadecene-1,1,8,8-tetracarboxylic acid tetramethyl ester tetramethyl 1-[[2-bromanyl-5,5-bis(methoxycarbonyl)-3-methylidene-cyclohexen-1-yl]methyl]nonadec-18-ene-1,1,8,8-tetracarboxylate tetramethyl 1-[[2-bromo-5,5-bis(methoxycarbonyl)-3-methylene-cyclohexen-1-yl]methyl]nonadec-18-ene-1,1,8,8-tetracarboxylate tetramethyl 1-[[2-bromo-5,5-bis(methoxycarbonyl)-3-methylidenecyclohexen-1-yl]methyl]nonadec-18-ene-1,1,8,8-tetracarboxylate
Wiley ID 1533965