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CENTROPENTAINDANE
SpectraBase Compound ID FYrBuyt4l1H
InChI InChI=1S/C35H22/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)34-28-18-8-4-14-24(28)32-23-13-3-7-17-27(23)33(25,35(31,32)34)29-19-9-10-20-30(29)34/h1-20,31-32H
InChIKey CFKHQBTZWGGUBB-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C35H22
Exact Mass 442.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cvxCs6rZo8
Name CENTROPENTAINDANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H22
InChI InChI=1S/C35H22/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)34-28-18-8-4-14-24(28)32-23-13-3-7-17-27(23)33(25,35(31,32)34)29-19-9-10-20-30(29)34/h1-20,31-32H
InChIKey CFKHQBTZWGGUBB-UHFFFAOYSA-N
Instrument Name MAT CH5
Molecular Weight 442.1716
SMILES c1c2c(ccc1)C13c4c(cccc4)C4c5c(cccc5)C22c5ccccc5C(c5ccccc35)C142
SPLASH splash10-0006-0011900000-fa92cae76ae8382420d8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany