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2,7-Dichlorobenzo[3,4]cyclobuta[1,2-b]biphenylene
SpectraBase Compound ID FcUptkn5Xft
InChI InChI=1S/C18H8Cl2/c19-9-1-3-11-13(5-9)17-8-16-12-4-2-10(20)6-14(12)18(16)7-15(11)17/h1-8H
InChIKey SWSPNMBQADNIHM-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 5xHNZreRZQY
Name 2,7-Dichlorobenzo[3,4]cyclobuta[1,2-b]biphenylene
Appearance Red solid
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Exact Mass 294.000305658 u
Formula C18H8Cl2
InChI InChI=1S/C18H8Cl2/c19-9-1-3-11-13(5-9)17-8-16-12-4-2-10(20)6-14(12)18(16)7-15(11)17/h1-8H
InChIKey SWSPNMBQADNIHM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708892
Reported Formula C18H8Cl2
SMILES C1=C2C(=CC3=C1C1=C3C=CC(=C1)Cl)C1=C2C=CC(=C1)Cl
SPLASH splash10-0005-0090000000-49775cc360853bb857a0
Source of Spectrum ACI-56-SM16-16 (DOI: 10.1002/anie.201708892)
Wiley ID 1896525