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5,14[1',2']-Benzeno-7,12-ethanopentacene, 21,22-bis(chloromethyl)-5,7,12,14-tetrahydro-, (21R*,22S*)-
SpectraBase Compound ID 1uGfJNsOSZR
InChI InChI=1S/C32H24Cl2/c33-15-27-28(16-34)32-22-12-6-5-11-21(22)31(27)25-13-23-24(14-26(25)32)30-18-8-2-1-7-17(18)29(23)19-9-3-4-10-20(19)30/h1-14,27-32H,15-16H2/t27?,28?,29-,30+,31-,32+
InChIKey CHUOSSUSUNPKJX-FEUQIALASA-N
Mol Weight 479.5 g/mol
Molecular Formula C32H24Cl2
Exact Mass 478.125506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DakO4WBgrFf
Name 5,14[1',2']-Benzeno-7,12-ethanopentacene, 21,22-bis(chloromethyl)-5,7,12,14-tetrahydro-, (21R*,22S*)-
Alternate Name(s) 29,30-bis(chloromethyl)octacyclo[14.6.6.2(5,12).0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]triaconta-2(15),3,6,8,10,13,17,19,21,23,25,27-dodecaene
CAS Registry Number 108947-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24Cl2
InChI InChI=1S/C32H24Cl2/c33-15-27-28(16-34)32-22-12-6-5-11-21(22)31(27)25-13-23-24(14-26(25)32)30-18-8-2-1-7-17(18)29(23)19-9-3-4-10-20(19)30/h1-14,27-32H,15-16H2/t27?,28?,29-,30+,31-,32+
InChIKey CHUOSSUSUNPKJX-FEUQIALASA-N
Molecular Weight 479.450 g/mol
SMILES [C@]12(c3c(cc4[C@]5(c6ccccc6[C@@](c4c3)(C(CCl)C5CCl)[H])[H])[C@@](c3c1cccc3)(c1c2cccc1)[H])[H]
SPLASH splash10-0a4i-0903000000-37d7a45db5e2be49dc0f
Source of Spectrum J-52-3635-20
Wiley ID 1394889