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(S)-6,6'-di(pyren-1-yl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol

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(S)-6,6'-di(pyren-1-yl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol
SpectraBase Compound ID Fwkvy5cQQm8
InChI InChI=1S/C49H32O2/c50-47-39(35-17-11-31-9-7-27-3-1-5-29-13-19-37(35)43(31)41(27)29)21-15-33-23-25-49(45(33)47)26-24-34-16-22-40(48(51)46(34)49)36-18-12-32-10-8-28-4-2-6-30-14-20-38(36)44(32)42(28)30/h1-22,50-51H,23-26H2
InChIKey LAMZPRFBLNVQNW-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C49H32O2
Exact Mass 652.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73CHLubHKMU
Name (S)-6,6'-di(Pyren-1-yl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-7,7'-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.240230268 u
Formula C49H32O2
InChI InChI=1S/C49H32O2/c50-47-39(35-17-11-31-9-7-27-3-1-5-29-13-19-37(35)43(31)41(27)29)21-15-33-23-25-49(45(33)47)26-24-34-16-22-40(48(51)46(34)49)36-18-12-32-10-8-28-4-2-6-30-14-20-38(36)44(32)42(28)30/h1-22,50-51H,23-26H2
InChIKey LAMZPRFBLNVQNW-UHFFFAOYSA-N
Molecular Weight 652.793 g/mol
SMILES [C@]12(C3=C(CC2)C=CC(=C3O)C2=C3C=4C(=CC=C5C4C(=CC=C5)C=C3)C=C2)CCC=2C=CC(=C(C12)O)C=1C=2C=CC=3C=CC=C4C=CC(=CC1)C2C34