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11-(2-Bromo-allyl)-11-ethoxycarbonyl-7-methoxy-dodeca-2,8-diynedioic acid 12-ethyl ester 1-methyl ester
SpectraBase Compound ID 4k5eWfTuDR9
InChI InChI=1S/C22H29BrO7/c1-6-29-20(25)22(16-17(3)23,21(26)30-7-2)15-11-13-18(27-4)12-9-8-10-14-19(24)28-5/h18H,3,6-9,12,15-16H2,1-2,4-5H3
InChIKey LMHKAFVEFBXSGB-UHFFFAOYSA-N
Mol Weight 485.37 g/mol
Molecular Formula C22H29BrO7
Exact Mass 484.109666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpL9vvqcFKi
Name 11-(2-Bromo-allyl)-11-ethoxycarbonyl-7-methoxy-dodeca-2,8-diynedioic acid 12-ethyl ester 1-methyl ester
Alternate Name(s) 12-bromo-6-methoxytridec-12-en-1,7-diyne-1,10,10-tricarboxylic acid O10,O10-diethyl ester O1-methyl ester 10-O,10-O-diethyl 1-O-methyl 12-bromo-6-methoxytridec-12-en-1,7-diyne-1,10,10-tricarboxylate O10,O10-diethyl O1-methyl 12-bromo-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylate O10,O10-diethyl O1-methyl 12-bromanyl-6-methoxy-tridec-12-en-1,7-diyne-1,10,10-tricarboxylate
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Formula C22H29BrO7
InChI InChI=1S/C22H29BrO7/c1-6-29-20(25)22(16-17(3)23,21(26)30-7-2)15-11-13-18(27-4)12-9-8-10-14-19(24)28-5/h18H,3,6-9,12,15-16H2,1-2,4-5H3
InChIKey LMHKAFVEFBXSGB-UHFFFAOYSA-N
Molecular Weight 485.371 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(OC)CCCC#CC(=O)OC
SPLASH splash10-052f-9410000000-c4b39205c16f21b05981
Source of Spectrum U1-2008-6160-10b
Wiley ID 1662347