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1H-isoindole-2-acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-

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1H-isoindole-2-acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-
SpectraBase Compound ID BawIgFw60qc
InChI InChI=1S/C21H22N2O4S/c1-28-11-8-17(23-13-14-4-2-3-5-16(14)21(23)25)20(24)22-15-6-7-18-19(12-15)27-10-9-26-18/h2-7,12,17H,8-11,13H2,1H3,(H,22,24)
InChIKey KHCHJNNVWYGJSP-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0DMBhhxBex
Name 1H-isoindole-2-acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo-, (alpha~2~S)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.130028366 u
Formula C21H22N2O4S
InChI InChI=1S/C21H22N2O4S/c1-28-11-8-17(23-13-14-4-2-3-5-16(14)21(23)25)20(24)22-15-6-7-18-19(12-15)27-10-9-26-18/h2-7,12,17H,8-11,13H2,1H3,(H,22,24)
InChIKey KHCHJNNVWYGJSP-UHFFFAOYSA-N
Molecular Weight 398.477 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_691
Solvent DMSO-d6
Source Vendor ID: NMR/12669785