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5-Hexyl-2,3-diphenyl-1-propyl-1H-pyrrole

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5-Hexyl-2,3-diphenyl-1-propyl-1H-pyrrole
SpectraBase Compound ID DLxrL6yjXUT
InChI InChI=1S/C25H31N/c1-3-5-6-13-18-23-20-24(21-14-9-7-10-15-21)25(26(23)19-4-2)22-16-11-8-12-17-22/h7-12,14-17,20H,3-6,13,18-19H2,1-2H3
InChIKey OWZDKFQRPFSZGW-UHFFFAOYSA-N
Mol Weight 345.53 g/mol
Molecular Formula C25H31N
Exact Mass 345.24565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xFJTExWwjC
Name 5-Hexyl-2,3-diphenyl-1-propyl-1H-pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.245650002 u
Formula C25H31N
InChI InChI=1S/C25H31N/c1-3-5-6-13-18-23-20-24(21-14-9-7-10-15-21)25(26(23)19-4-2)22-16-11-8-12-17-22/h7-12,14-17,20H,3-6,13,18-19H2,1-2H3
InChIKey OWZDKFQRPFSZGW-UHFFFAOYSA-N
Molecular Weight 345.530 g/mol
SMILES C=1(N(C(=CC1C=1C=CC=CC1)CCCCCC)CCC)C=1C=CC=CC1