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15,16-Dibromoheptacyclo[10.8.1,1(4,7).0(3,8).0(2,9).0(11,20).0(13,18)]docosa-5,11,13,15,17,19-hexene
SpectraBase Compound ID E2v8qDwSFuO
InChI InChI=1S/C22H18Br2/c23-17-6-11-4-13-14(5-12(11)7-18(17)24)16-8-15(13)21-19-9-1-2-10(3-9)20(19)22(16)21/h1-2,4-7,9-10,15-16,19-22H,3,8H2/t9-,10+,15-,16+,19+,20?,21?,22-/m1/s1
InChIKey OFHJYZIZSBZSRR-AJDHTRFWSA-N
Mol Weight 442.19 g/mol
Molecular Formula C22H18Br2
Exact Mass 439.977527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmtDROai2k8
Name 15,16-Dibromoheptacyclo[10.8.1,1(4,7).0(3,8).0(2,9).0(11,20).0(13,18)]docosa-5,11,13,15,17,19-hexene
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Formula C22H18Br2
InChI InChI=1S/C22H18Br2/c23-17-6-11-4-13-14(5-12(11)7-18(17)24)16-8-15(13)21-19-9-1-2-10(3-9)20(19)22(16)21/h1-2,4-7,9-10,15-16,19-22H,3,8H2/t9-,10+,15-,16+,19+,20?,21?,22-/m1/s1
InChIKey OFHJYZIZSBZSRR-AJDHTRFWSA-N
Molecular Weight 442.194 g/mol
SMILES C12[C@]([C@]3(C[C@@]2(c2c3cc3cc(Br)c(cc3c2)Br)[H])[H])(C2[C@@]1([C@@]1(C=C[C@]2(C1)[H])[H])[H])[H]
SPLASH splash10-00fu-0000900000-20579bb43cf6bbf43d41
Source of Spectrum KC-61-6972-4
Wiley ID 1629872