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Methyl (E/Z)-12-bromo-10,10-bis(ethoxycarbonyl)-6-methoxy-2-methyl-2,12-tridecadiene-7-yne-carboxylate
SpectraBase Compound ID JlNM7FHlOss
InChI InChI=1S/C22H31BrO7/c1-7-29-20(25)22(15-17(4)23,21(26)30-8-2)14-10-13-18(27-5)12-9-11-16(3)19(24)28-6/h11,18H,4,7-9,12,14-15H2,1-3,5-6H3/b16-11+
InChIKey OFPLMHADYZDDNZ-LFIBNONCSA-N
Mol Weight 487.39 g/mol
Molecular Formula C22H31BrO7
Exact Mass 486.125316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwvJKHOpEb2
Name Methyl (E/Z)-12-bromo-10,10-bis(ethoxycarbonyl)-6-methoxy-2-methyl-2,12-tridecadiene-7-yne-carboxylate
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Formula C22H31BrO7
InChI InChI=1S/C22H31BrO7/c1-7-29-20(25)22(15-17(4)23,21(26)30-8-2)14-10-13-18(27-5)12-9-11-16(3)19(24)28-6/h11,18H,4,7-9,12,14-15H2,1-3,5-6H3/b16-11+
InChIKey OFPLMHADYZDDNZ-LFIBNONCSA-N
Molecular Weight 487.387 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(OC)CC\C=C\(C(=O)OC)C
SPLASH splash10-066r-5955400000-0e578899429d92e63f06
Source of Spectrum F-52-11574-54
Synonyms 10,10-diethyl 2-methyl (2E)-12-bromo-6-methoxy-2,12-tridecadien-7-yne-2,10,10-tricarboxylate
Wiley ID 798485