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1,2,4-Triphenyl-5-pyrrolidino-1,4-pentadien-3-one

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

1,2,4-Triphenyl-5-pyrrolidino-1,4-pentadien-3-one
SpectraBase Compound ID DtVN0aTJsna
InChI InChI=1S/C27H25NO/c29-27(26(21-28-18-10-11-19-28)24-16-8-3-9-17-24)25(23-14-6-2-7-15-23)20-22-12-4-1-5-13-22/h1-9,12-17,20-21H,10-11,18-19H2
InChIKey JKUJGWLFFFSESE-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C27H25NO
Exact Mass 379.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIAtxKdwJVT
Name 1,2,4-Triphenyl-5-pyrrolidino-1,4-pentadien-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.193614428 u
Formula C27H25NO
InChI InChI=1S/C27H25NO/c29-27(26(21-28-18-10-11-19-28)24-16-8-3-9-17-24)25(23-14-6-2-7-15-23)20-22-12-4-1-5-13-22/h1-9,12-17,20-21H,10-11,18-19H2
InChIKey JKUJGWLFFFSESE-UHFFFAOYSA-N
Molecular Weight 379.503 g/mol
SMILES C(\C(=C\N1CCCC1)C=1C=CC=CC1)(\C(=C\C1=CC=CC=C1)C1=CC=CC=C1)=O