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1H-isoindole-2-acetamide, N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-
SpectraBase Compound ID 1vB4Moc2W78
InChI InChI=1S/C20H21ClN2O3S/c1-26-18-8-7-14(11-16(18)21)22-19(24)17(9-10-27-2)23-12-13-5-3-4-6-15(13)20(23)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,24)
InChIKey IMTHRNUJRBAPTH-UHFFFAOYSA-N
Mol Weight 404.91 g/mol
Molecular Formula C20H21ClN2O3S
Exact Mass 404.096141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMQwlCJhks5
Name 1H-isoindole-2-acetamide, N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.096141415 u
Formula C20H21ClN2O3S
InChI InChI=1S/C20H21ClN2O3S/c1-26-18-8-7-14(11-16(18)21)22-19(24)17(9-10-27-2)23-12-13-5-3-4-6-15(13)20(23)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,24)
InChIKey IMTHRNUJRBAPTH-UHFFFAOYSA-N
Molecular Weight 404.912 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_147
Solvent DMSO-d6
Source Vendor ID: NMR/12669626