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Benzo[b]benzo[3,4]cyclobuta[1,2-h]biphenylene

View entire compound with spectra: 1 MS (GC)

Benzo[b]benzo[3,4]cyclobuta[1,2-h]biphenylene
SpectraBase Compound ID KcM6fOyawpT
InChI InChI=1S/C22H12/c1-2-6-14-10-18-17(9-13(14)5-1)21-11-19-15-7-3-4-8-16(15)20(19)12-22(18)21/h1-12H
InChIKey WCTBPDZKIXGKEN-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C22H12
Exact Mass 276.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9X2xJ3EDGN
Name Benzo[b]benzo[3,4]cyclobuta[1,2-h]biphenylene
Alternate Name(s) Naphtho[2',3':3,4]cyclobuta[1,2-b]biphenylene
CAS Registry Number 117965-75-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12
InChI InChI=1S/C22H12/c1-2-6-14-10-18-17(9-13(14)5-1)21-11-19-15-7-3-4-8-16(15)20(19)12-22(18)21/h1-12H
InChIKey WCTBPDZKIXGKEN-UHFFFAOYSA-N
Molecular Weight 276.338 g/mol
SMILES C=12C(C=C3C(=C2)c2c3cc3c(c2)cccc3)=C2C1C=CC=C2
SPLASH splash10-004i-0190000000-93cdb6767289777f1927
Source of Spectrum KC-1988-968-39
Wiley ID 1280728