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N-(1,3-benzodioxol-5-ylmethyl)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide

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N-(1,3-benzodioxol-5-ylmethyl)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
SpectraBase Compound ID 3utV74PXYQG
InChI InChI=1S/C21H22N2O4S/c1-28-9-8-17(23-12-15-4-2-3-5-16(15)21(23)25)20(24)22-11-14-6-7-18-19(10-14)27-13-26-18/h2-7,10,17H,8-9,11-13H2,1H3,(H,22,24)
InChIKey GAOFENDJJWRQIJ-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 26L5NIgShMP
Name N-(1,3-benzodioxol-5-ylmethyl)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
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/c1-28-9-8-17(23-12-15-4-2-3-5-16(15)21(23)25)20(24)22-11-14-6-7-18-19(10-14)27-13-26-18/h2-7,10,17H,8-9,11-13H2,1H3,(H,22,24)
InChIKey GAOFENDJJWRQIJ-UHFFFAOYSA-N
Molecular Weight 398.477 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8949
Solvent DMSO-d6
Source Vendor ID: NMR/12669682
Temperature 29.85 °C