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6-ACETOXY-11,16-DIBROMOUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSAN-1-OL

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6-ACETOXY-11,16-DIBROMOUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSAN-1-OL
SpectraBase Compound ID LomtmtZHdxz
InChI InChI=1S/C22H20Br2O3/c1-2(25)27-22-17-7-5-11-3-4-12-6-8(14(4)20(22,24)13(3)7)18(22)10-9(17)15(5)21(26,16(6)10)19(11,12)23/h3-18,26H,1H3
InChIKey PCROXPZLSJWSCA-UHFFFAOYSA-N
Mol Weight 492.21 g/mol
Molecular Formula C22H20Br2O3
Exact Mass 489.977921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DUW6dHQMS
Name 6-Aetoxy-11,16-dibromoundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1-ol
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Formula C22H20Br2O3
InChI InChI=1S/C22H20Br2O3/c1-2(25)27-22-17-7-5-11-3-4-12-6-8(14(4)20(22,24)13(3)7)18(22)10-9(17)15(5)21(26,16(6)10)19(11,12)23/h3-18,26H,1H3
InChIKey PCROXPZLSJWSCA-UHFFFAOYSA-N
Molecular Weight 492.207 g/mol
SMILES OC12C3(Br)C4C5C6C7C8(C9(C%10C(C3C3C%10C8C(C13)C7C25)C4C69)Br)OC(=O)C
SPLASH splash10-0udi-0009000000-e02618e13741adc49326
Source of Spectrum J-66-5753-23
Wiley ID 1535665