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Dimethyl 13-anti-18-anti-Dibromo-21-oxadecacyclo[12.7.0.0(1,20).0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15,19)]henicosane-3-syn-8-syn-dicarboxylate
SpectraBase Compound ID 7SrOZnnH7cR
InChI InChI=1S/C24H24Br2O5/c1-29-21(27)13-6-3-4-7-5(6)11-15(13)23-17-12-8(9(3)19(17)25)10(4)20(26)18(12)24(23,31-23)16(11)14(7)22(28)30-2/h3-20H,1-2H3/t3?,4?,5-,6-,7+,8+,9+,10-,11+,12-,13+,14-,15+,16-,17-,18+,19-,20+,23-,24+
InChIKey UUBVDDFXVGBWTF-SNCRZJNVSA-N
Mol Weight 552.26 g/mol
Molecular Formula C24H24Br2O5
Exact Mass 549.99905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9zgbCQjmOe
Name Dimethyl 13-anti-18-anti-Dibromo-21-oxadecacyclo[12.7.0.0(1,20).0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15,19)]henicosane-3-syn-8-syn-dicarboxylate
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Formula C24H24Br2O5
InChI InChI=1S/C24H24Br2O5/c1-29-21(27)13-6-3-4-7-5(6)11-15(13)23-17-12-8(9(3)19(17)25)10(4)20(26)18(12)24(23,31-23)16(11)14(7)22(28)30-2/h3-20H,1-2H3/t3?,4?,5-,6-,7+,8+,9+,10-,11+,12-,13+,14-,15+,16-,17-,18+,19-,20+,23-,24+
InChIKey UUBVDDFXVGBWTF-SNCRZJNVSA-N
Molecular Weight 552.259 g/mol
SMILES [C@]123[C@]4([C@@]5([C@@](Br)([C@]6([C@]7([C@@]5([C@@]1([C@@]([C@]7(C1C6[C@]5([C@@]6([C@@]([C@]3([C@]([C@]16[H])(C(=O)OC)[H])[H])([C@@]4([C@@]5(C(=O)OC)[H])[H])[H])[H])[H])[H])(Br)[H])[H])[H])[H])[H])[H])[H])O2
SPLASH splash10-00di-0230900000-c26cdf343e18f1c16568
Source of Spectrum C-115-7189-33
Synonyms Dimethyl 13,18-dibromo-21-oxadecacyclo[12.7.0.0(1,20).0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15,19)]henicosane-3,8-dicarboxylate
Wiley ID 1405651