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3-(Cyclohexylcarbonyl)-5-methyl-2-phenyl-1-p-tolylpyrrole

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3-(Cyclohexylcarbonyl)-5-methyl-2-phenyl-1-p-tolylpyrrole
SpectraBase Compound ID BzczbScDwzL
InChI InChI=1S/C25H27NO/c1-18-13-15-22(16-14-18)26-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3
InChIKey QMKUSRJZAUKADC-UHFFFAOYSA-N
Mol Weight 357.5 g/mol
Molecular Formula C25H27NO
Exact Mass 357.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKpCbX90Tbc
Name 3-(Cyclohexylcarbonyl)-5-methyl-2-phenyl-1-p-tolylpyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.209264492 u
Formula C25H27NO
InChI InChI=1S/C25H27NO/c1-18-13-15-22(16-14-18)26-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3
InChIKey QMKUSRJZAUKADC-UHFFFAOYSA-N
Molecular Weight 357.497 g/mol
SMILES C1(=C(N(C=2C=CC(=CC2)C)C(=C1)C)C=1C=CC=CC1)C(=O)C1CCCCC1