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12,14-Propano-9,10[1',3']-endo-cyclobutanthracene, 11-bromo-9,10,11,12,13,14-hexahydro-13-(trichloromethyl)-
SpectraBase Compound ID 2WkCme23kAg
InChI InChI=1S/C22H18BrCl3/c23-21-16-10-5-11-17(21)20(16,22(24,25)26)18-12-6-1-3-8-14(12)19(21)15-9-4-2-7-13(15)18/h1-4,6-9,16-19H,5,10-11H2/t16-,17+,18-,19+,20+,21-
InChIKey BANWBJUBLQXTRE-AIAJZDAFSA-N
Mol Weight 468.65 g/mol
Molecular Formula C22H18BrCl3
Exact Mass 465.965747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7E3h2baX2UV
Name 12,14-Propano-9,10[1',3']-endo-cyclobutanthracene, 11-bromo-9,10,11,12,13,14-hexahydro-13-(trichloromethyl)-
Alternate Name(s) 2-Bromo-8-(trichloromethyl)dibenzo[j,m]tetracyclo[7.2.2.0(2,7).0(3,8)]trideca-10,12-diene 2-Bromo-8-(trichloromethyl)hexacyclo[7.6.6.0(2,7).0(3,8).0(10,15).0(16,21)]henicosa-10,12,14,16,18,20-hexaene
CAS Registry Number 98230-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BrCl3
InChI InChI=1S/C22H18BrCl3/c23-21-16-10-5-11-17(21)20(16,22(24,25)26)18-12-6-1-3-8-14(12)19(21)15-9-4-2-7-13(15)18/h1-4,6-9,16-19H,5,10-11H2/t16-,17+,18-,19+,20+,21-
InChIKey BANWBJUBLQXTRE-AIAJZDAFSA-N
Molecular Weight 468.649 g/mol
SMILES [C@]12([C@@]3(c4c(cccc4)[C@]([C@]4([C@@]1(CCC[C@@]24[H])[H])Br)(c1c3cccc1)[H])[H])C(Cl)(Cl)Cl
SPLASH splash10-004i-0901000000-dcd5909fd54c5d402497
Source of Spectrum K-118-2913-29
Wiley ID 1391880