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2-cyclohexen-1-one, 2-[1-(2,2-dimethoxyethyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethyl-
SpectraBase Compound ID Bg0xoxWr0Do
InChI InChI=1S/C28H31NO4/c1-28(2)16-23(30)26(24(31)17-28)21-15-22(19-11-7-5-8-12-19)29(18-25(32-3)33-4)27(21)20-13-9-6-10-14-20/h5-15,25,30H,16-18H2,1-4H3
InChIKey QBVQMLPXEWDNAL-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39bsR7nZNdA
Name 2-cyclohexen-1-one, 2-[1-(2,2-dimethoxyethyl)-2,5-diphenyl-1H-pyrrol-3-yl]-3-hydroxy-5,5-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.225308478 u
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-28(2)16-23(30)26(24(31)17-28)21-15-22(19-11-7-5-8-12-19)29(18-25(32-3)33-4)27(21)20-13-9-6-10-14-20/h5-15,25,30H,16-18H2,1-4H3
InChIKey QBVQMLPXEWDNAL-UHFFFAOYSA-N
Molecular Weight 445.559 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1749
Solvent DMSO-d6
Source Vendor ID: NMR/13268195