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1,3,6,8-TETRACYClOHEXYLPYRENE

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1,3,6,8-TETRACYClOHEXYLPYRENE
SpectraBase Compound ID 3rVLtlL0o1Q
InChI InChI=1S/C40H50/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h21-30H,1-20H2
InChIKey BQURVFKYBWSXCD-UHFFFAOYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C40H50
Exact Mass 530.391252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0Sdlp2lsGa
Name 1,3,6,8-TETRACYClOHEXYLPYRENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H50
InChI InChI=1S/C40H50/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h21-30H,1-20H2
InChIKey BQURVFKYBWSXCD-UHFFFAOYSA-N
Literature Reference Author K.K.LAALI,P.E.HANSEN,E.GELERINTER,J.J.HOUSER
Literature Reference Citation J.ORG.CHEM.,58,4088(1993)
Literature Reference DOI 10.1021/jo00067a049
Molecular Weight 530.837 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10039