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3-Pentanol, 1,5-bis(1-chrysyl)-

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3-Pentanol, 1,5-bis(1-chrysyl)-
SpectraBase Compound ID JvG3uBzAEay
InChI InChI=1S/C37H28O/c38-31(19-15-23-7-9-29-13-11-25-3-1-5-27-17-21-32(23)36(29)34(25)27)20-16-24-8-10-30-14-12-26-4-2-6-28-18-22-33(24)37(30)35(26)28/h1-14,17-18,21-22,31,38H,15-16,19-20H2
InChIKey HCJZULOXXIKQIT-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C37H28O
Exact Mass 488.214016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KtC1T3SHS
Name 3-Pentanol, 1,5-bis(1-chrysyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.214015521 u
Formula C37H28O
InChI InChI=1S/C37H28O/c38-31(19-15-23-7-9-29-13-11-25-3-1-5-27-17-21-32(23)36(29)34(25)27)20-16-24-8-10-30-14-12-26-4-2-6-28-18-22-33(24)37(30)35(26)28/h1-14,17-18,21-22,31,38H,15-16,19-20H2
InChIKey HCJZULOXXIKQIT-UHFFFAOYSA-N
Molecular Weight 488.630 g/mol
SMILES C1=CC2=CC=C3C4=C2C(=C1)C=CC4=CC=C3CCC(CCC=1C2=CC=C3C=CC=C4C=CC(C2=C34)=CC1)O