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5-bromo-3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
SpectraBase Compound ID AwE0ZIQnaMy
InChI InChI=1S/C21H22BrNO3/c1-2-3-4-5-14-6-8-15(9-7-14)19(24)13-21(26)17-12-16(22)10-11-18(17)23-20(21)25/h6-12,26H,2-5,13H2,1H3,(H,23,25)
InChIKey CLKJVKQYCUXHBH-UHFFFAOYSA-N
Mol Weight 416.32 g/mol
Molecular Formula C21H22BrNO3
Exact Mass 415.078307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 851NGPJovuP
Name 5-bromo-3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.078306569 u
Formula C21H22BrNO3
InChI InChI=1S/C21H22BrNO3/c1-2-3-4-5-14-6-8-15(9-7-14)19(24)13-21(26)17-12-16(22)10-11-18(17)23-20(21)25/h6-12,26H,2-5,13H2,1H3,(H,23,25)
InChIKey CLKJVKQYCUXHBH-UHFFFAOYSA-N
Molecular Weight 416.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8803
Solvent DMSO-d6
Source Vendor ID: NMR/13228099