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1,4-Hexadien-3-one, 5-methyl-2,4-diphenyl-1-(1-pyrrolidinyl)-, (E)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-Hexadien-3-one, 5-methyl-2,4-diphenyl-1-(1-pyrrolidinyl)-, (E)-
SpectraBase Compound ID 9GPcy2aOALr
InChI InChI=1S/C23H25NO/c1-18(2)22(20-13-7-4-8-14-20)23(25)21(17-24-15-9-10-16-24)19-11-5-3-6-12-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/b21-17+
InChIKey CQIIIRXTROPARU-HEHNFIMWSA-N
Mol Weight 331.46 g/mol
Molecular Formula C23H25NO
Exact Mass 331.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TDM58q6wHe
Name 1,4-Hexadien-3-one, 5-methyl-2,4-diphenyl-1-(1-pyrrolidinyl)-, (E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.193614428 u
Formula C23H25NO
InChI InChI=1S/C23H25NO/c1-18(2)22(20-13-7-4-8-14-20)23(25)21(17-24-15-9-10-16-24)19-11-5-3-6-12-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/b21-17+
InChIKey CQIIIRXTROPARU-HEHNFIMWSA-N
Molecular Weight 331.459 g/mol
SMILES C(\C(=C\N1CCCC1)C1=CC=CC=C1)(C(=C(C)C)C=1C=CC=CC1)=O