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ethyl 4-{[4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}benzoate
SpectraBase Compound ID E8eW8a6xJvD
InChI InChI=1S/C22H24N2O4S/c1-3-28-22(27)15-8-10-17(11-9-15)23-20(25)19(12-13-29-2)24-14-16-6-4-5-7-18(16)21(24)26/h4-11,19H,3,12-14H2,1-2H3,(H,23,25)
InChIKey HEUZAXOQOWKYMC-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3BknXhfwxbp
Name ethyl 4-{[4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.145678431 u
Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-3-28-22(27)15-8-10-17(11-9-15)23-20(25)19(12-13-29-2)24-14-16-6-4-5-7-18(16)21(24)26/h4-11,19H,3,12-14H2,1-2H3,(H,23,25)
InChIKey HEUZAXOQOWKYMC-UHFFFAOYSA-N
Molecular Weight 412.504 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8952
Solvent DMSO-d6
Source Vendor ID: NMR/12669685
Temperature 23.85 °C