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Dibenzo[j,xyz]heptaphene
SpectraBase Compound ID DE9t8DMiF2S
InChI InChI=1S/C36H20/c1-3-9-23-17-31-25(15-21(23)7-1)19-33-27-11-5-6-12-28(27)34-20-26-16-22-8-2-4-10-24(22)18-32(26)30-14-13-29(31)35(33)36(30)34/h1-20H
InChIKey KADSIADUIOVQLQ-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C36H20
Exact Mass 452.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nIKbObOPau
Name Dibenzo[j,xyz]heptaphene
CAS Registry Number 192-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H20
InChI InChI=1S/C36H20/c1-3-9-23-17-31-25(15-21(23)7-1)19-33-27-11-5-6-12-28(27)34-20-26-16-22-8-2-4-10-24(22)18-32(26)30-14-13-29(31)35(33)36(30)34/h1-20H
InChIKey KADSIADUIOVQLQ-UHFFFAOYSA-N
Molecular Weight 452.556 g/mol
SMILES c1ccc2c3c4c5c(cc6c(cc7c(cccc7)c6)c5ccc4c4c(c3)cc3c(c4)cccc3)c2c1
SPLASH splash10-0udi-0020900000-46bc0b44301eecb9d4b8
Wiley ID 1498264