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2,3-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)]icosanol
SpectraBase Compound ID eQ5QwvAvI5
InChI InChI=1S/C20H18Br2O/c21-18-13-7-2-1-3-5-4(2)11(13)15-12(5)14-8(3)10-6(1)9(7)16(18)17(10)19(14,23)20(15,18)22/h1-17,23H/t1?,2?,3?,4-,5-,6?,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18?,19-,20?/m1/s1
InChIKey YGQNPOHRSXJUIO-KIXNWMBASA-N
Mol Weight 434.17 g/mol
Molecular Formula C20H18Br2O
Exact Mass 431.972441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDD7ggjR4x1
Name 2,3-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)]icosanol
Alternate Name(s) 2,3-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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Formula C20H18Br2O
InChI InChI=1S/C20H18Br2O/c21-18-13-7-2-1-3-5-4(2)11(13)15-12(5)14-8(3)10-6(1)9(7)16(18)17(10)19(14,23)20(15,18)22/h1-17,23H/t1?,2?,3?,4-,5-,6?,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18?,19-,20?/m1/s1
InChIKey YGQNPOHRSXJUIO-KIXNWMBASA-N
Molecular Weight 434.171 g/mol
SMILES O[C@]12C3(C4([C@@]5([C@@]6([C@]7([C@@]4([C@]4([C@]3([C@]3([C@@]8(C9[C@]([C@@]13[H])([C@]([C@]25[H])(C6C9C7[C@@]48[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])Br)Br
SPLASH splash10-0a4i-0091000000-b6d9595fd5bbfdd04662
Source of Spectrum QE-12-6251-16
Wiley ID 1587215