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2,15-Dihexyldibenzo[g,p]chrysene

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2,15-Dihexyldibenzo[g,p]chrysene
SpectraBase Compound ID CYfgTOL88Il
InChI InChI=1S/C38H40/c1-3-5-7-9-15-27-21-23-33-35(25-27)36-26-28(16-10-8-6-4-2)22-24-34(36)38-32-20-14-12-18-30(32)29-17-11-13-19-31(29)37(33)38/h11-14,17-26H,3-10,15-16H2,1-2H3
InChIKey TXZYHJLQOGOYPB-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C38H40
Exact Mass 496.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IH5BXKcLDGU
Name 2,15-Dihexyldibenzo[G,p]chrysene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.313001288 u
Formula C38H40
InChI InChI=1S/C38H40/c1-3-5-7-9-15-27-21-23-33-35(25-27)36-26-28(16-10-8-6-4-2)22-24-34(36)38-32-20-14-12-18-30(32)29-17-11-13-19-31(29)37(33)38/h11-14,17-26H,3-10,15-16H2,1-2H3
InChIKey TXZYHJLQOGOYPB-UHFFFAOYSA-N
Molecular Weight 496.738 g/mol
SMILES C=12C(C3=CC=C(C=C3C=3C2=CC=C(CCCCCC)C3)CCCCCC)=C2C=CC=CC2=C2C1C=CC=C2