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2,9-Dichlorobenzo[3,4]cyclobuta[1,2-a]biphenylene
SpectraBase Compound ID 5YX0vSk1e2r
InChI InChI=1S/C18H8Cl2/c19-9-1-3-11-13-5-6-14-12-4-2-10(20)8-16(12)18(14)17(13)15(11)7-9/h1-8H
InChIKey FVTGYDLXHKRPOV-UHFFFAOYSA-N
Mol Weight 295.17 g/mol
Molecular Formula C18H8Cl2
Exact Mass 294.000306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22VLoVOG2zE
Name 2,9-Dichlorobenzo[3,4]cyclobuta[1,2-a]biphenylene
Appearance Yellow solid
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Exact Mass 294.000305658 u
Formula C18H8Cl2
InChI InChI=1S/C18H8Cl2/c19-9-1-3-11-13-5-6-14-12-4-2-10(20)8-16(12)18(14)17(13)15(11)7-9/h1-8H
InChIKey FVTGYDLXHKRPOV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708892
Reported Formula C18H8Cl2
SMILES C12=C(C=CC3=C2C2=C3C=CC(=C2)Cl)C2=C1C=C(C=C2)Cl
SPLASH splash10-0005-0090000000-a48d7756ee9c9f4f2bf0
Source of Spectrum ACI-56-SM18-20 (DOI: 10.1002/anie.201708892)
Wiley ID 1896528