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1-[3-acetyl-4-[(4-bromophenyl)amino]-6-hydroxy-6-methyl-2-(4-methylphenyl)-1-cyclohex-3-enyl]ethanone 1-[4-[(4-bromophenyl)amino]-3-ethanoyl-6-hydroxy-6-methyl-2-(4-methylphenyl)-1-cyclohex-3-enyl]ethanone
SpectraBase Compound ID IF3gfriH7We
InChI InChI=1S/C24H26BrNO3/c1-14-5-7-17(8-6-14)22-21(15(2)27)20(13-24(4,29)23(22)16(3)28)26-19-11-9-18(25)10-12-19/h5-12,22-23,26,29H,13H2,1-4H3
InChIKey FKXFBPSKUVNQNN-UHFFFAOYSA-N
Mol Weight 456.38 g/mol
Molecular Formula C24H26BrNO3
Exact Mass 455.109607 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHyGaCQha74
Name 1-[3-acetyl-4-[(4-bromophenyl)amino]-6-hydroxy-6-methyl-2-(4-methylphenyl)-1-cyclohex-3-enyl]ethanone 1-[4-[(4-bromophenyl)amino]-3-ethanoyl-6-hydroxy-6-methyl-2-(4-methylphenyl)-1-cyclohex-3-enyl]ethanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.109606698 u
Formula C24H26BrNO3
InChI InChI=1S/C24H26BrNO3/c1-14-5-7-17(8-6-14)22-21(15(2)27)20(13-24(4,29)23(22)16(3)28)26-19-11-9-18(25)10-12-19/h5-12,22-23,26,29H,13H2,1-4H3
InChIKey FKXFBPSKUVNQNN-UHFFFAOYSA-N
Molecular Weight 456.380 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3208
Solvent DMSO-d6
Source Vendor ID: NMR/9258278; Lab Info: *0866894*; Lab Number: BAS 0866894
Temperature 29.85 °C