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21,22-Dibromodecacyclo[14.10.1,1(4,13).1(7,10).0(2,15).0(3,14).0(5,12).0(6,11).0(17,26).0(19,24)]hexacosa-8,17,19,21,23,25-hexene
SpectraBase Compound ID 8U1pgWzjZ8Z
InChI InChI=1S/C29H26Br2/c30-20-6-12-4-14-15(5-13(12)7-21(20)31)17-8-16(14)24-25(17)29-19-9-18(28(24)29)26-22-10-1-2-11(3-10)23(22)27(19)26/h1-2,4-7,10-11,16-19,22-29H,3,8-9H2/t10-,11+,16-,17+,18+,19-,22+,23?,24-,25?,26?,27?,28?,29+/m0/s1
InChIKey LYAPJWWJKVMXPB-FNUBFOKOSA-N
Mol Weight 534.34 g/mol
Molecular Formula C29H26Br2
Exact Mass 532.040127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wFh8G0YHQy
Name 21,22-Dibromodecacyclo[14.10.1,1(4,13).1(7,10).0(2,15).0(3,14).0(5,12).0(6,11).0(17,26).0(19,24)]hexacosa-8,17,19,21,23,25-hexene
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Formula C29H26Br2
InChI InChI=1S/C29H26Br2/c30-20-6-12-4-14-15(5-13(12)7-21(20)31)17-8-16(14)24-25(17)29-19-9-18(28(24)29)26-22-10-1-2-11(3-10)23(22)27(19)26/h1-2,4-7,10-11,16-19,22-29H,3,8-9H2/t10-,11+,16-,17+,18+,19-,22+,23?,24-,25?,26?,27?,28?,29+/m0/s1
InChIKey LYAPJWWJKVMXPB-FNUBFOKOSA-N
Molecular Weight 534.335 g/mol
SMILES C12[C@]([C@]3(C[C@@]2(c2c3cc3cc(Br)c(cc3c2)Br)[H])[H])(C2[C@@]1([C@@]1(C3C([C@]2(C1)[H])[C@]1(C3[C@@]2(C=C[C@]1(C2)[H])[H])[H])[H])[H])[H]
SPLASH splash10-001r-0001190000-d7bce50a3f31a4dfd3cb
Source of Spectrum KC-61-6973-6
Wiley ID 1629866