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3b,4,5,5a,8b,9,10,10a-octahydro-4,5,9,10-tetraphenyldicyclobuta[e,l]pyren

View entire compound with spectra: 1 MS (GC)

3b,4,5,5a,8b,9,10,10a-octahydro-4,5,9,10-tetraphenyldicyclobuta[e,l]pyren
SpectraBase Compound ID DvrkWKcKOgk
InChI InChI=1S/C44H34/c1-5-15-27(16-6-1)35-36(28-17-7-2-8-18-28)42-32-24-14-26-34-40(32)39-31(41(35)42)23-13-25-33(39)43-37(29-19-9-3-10-20-29)38(44(34)43)30-21-11-4-12-22-30/h1-26,35-38,41-44H
InChIKey DVWXLWMJUQWOBI-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C44H34
Exact Mass 562.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K49aRKPV3xr
Name 3b,4,5,5a,8b,9,10,10a-octahydro-4,5,9,10-tetraphenyldicyclobuta[e,l]pyren
CAS Registry Number 100603-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H34
InChI InChI=1S/C44H34/c1-5-15-27(16-6-1)35-36(28-17-7-2-8-18-28)42-32-24-14-26-34-40(32)39-31(41(35)42)23-13-25-33(39)43-37(29-19-9-3-10-20-29)38(44(34)43)30-21-11-4-12-22-30/h1-26,35-38,41-44H
InChIKey DVWXLWMJUQWOBI-UHFFFAOYSA-N
Molecular Weight 562.756 g/mol
SMILES c12-c3c4cccc3C3C(c1cccc2C1C4C(C1c1ccccc1)c1ccccc1)C(C3c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0390000000-f03eb52c0c3c8f2cbc69
Source of Spectrum K-119-1714-15
Synonyms 4,5,9,10-tetraphenyl-3b,4,5,5a,8b,9,10,10a-octahydrodicyclobuta[e,l]pyrene
Wiley ID 1407007