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benzoic acid, 4-[[[(2-methyl-8-quinolinyl)thio]acetyl]amino]-, butylester
SpectraBase Compound ID CEQbzGlIXvr
InChI InChI=1S/C23H24N2O3S/c1-3-4-14-28-23(27)18-10-12-19(13-11-18)25-21(26)15-29-20-7-5-6-17-9-8-16(2)24-22(17)20/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKey OEFJQMKMDYYJPU-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C23H24N2O3S
Exact Mass 408.150764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApygQ6xx0pM
Name benzoic acid, 4-[[[(2-methyl-8-quinolinyl)thio]acetyl]amino]-, butylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.150763812 u
Formula C23H24N2O3S
InChI InChI=1S/C23H24N2O3S/c1-3-4-14-28-23(27)18-10-12-19(13-11-18)25-21(26)15-29-20-7-5-6-17-9-8-16(2)24-22(17)20/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKey OEFJQMKMDYYJPU-UHFFFAOYSA-N
Molecular Weight 408.516 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13913
Solvent DMSO-d6
Source Vendor ID: NMR/10300203; Lab Info: LP; Lab Number: LP-2171048