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5,14[1',2']-Benzenopentacene, 9,10-dibromo-5,5a,6,14-tetrahydro-
SpectraBase Compound ID 4BnjItCJgPC
InChI InChI=1S/C28H18Br2/c29-25-13-17-9-15-11-23-24(12-16(15)10-18(17)14-26(25)30)28-20-6-2-1-5-19(20)27(23)21-7-3-4-8-22(21)28/h1-11,13-14,24,27-28H,12H2/t24?,27-,28+
InChIKey DJXBAXSDHZYHBB-WFVNRGBPSA-N
Mol Weight 514.26 g/mol
Molecular Formula C28H18Br2
Exact Mass 511.977527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Luc5ygRmVAa
Name 5,14[1',2']-Benzenopentacene, 9,10-dibromo-5,5a,6,14-tetrahydro-
CAS Registry Number 106750-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H18Br2
InChI InChI=1S/C28H18Br2/c29-25-13-17-9-15-11-23-24(12-16(15)10-18(17)14-26(25)30)28-20-6-2-1-5-19(20)27(23)21-7-3-4-8-22(21)28/h1-11,13-14,24,27-28H,12H2/t24?,27-,28+
InChIKey DJXBAXSDHZYHBB-WFVNRGBPSA-N
Molecular Weight 514.260 g/mol
SMILES C=12[C@]3(c4ccccc4[C@@](C2Cc2c(C1)cc1c(cc(Br)c(c1)Br)c2)(c1ccccc31)[H])[H]
SPLASH splash10-004i-0900000000-f96fcaeeae4f10972a69
Source of Spectrum F-42-1654-59
Synonyms 5,14[1',2']-benzeno-9,10-dibromo-5,13,14-trihydro-pentacene 8,9-Dibromoheptacyclo[14.6.6.0(2,15).0(4,13).0(6,11).0(17,22).0(23,28)]octacosa-2,4,6,8,10,12,17,19,21,23,25,27-dodecaene
Wiley ID 1400807