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2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfonyl)butanamide

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2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfonyl)butanamide
SpectraBase Compound ID Fhw6B7QKbbW
InChI InChI=1S/C20H20N2O6S/c1-28-17-10-6-5-9-15(17)21-18(23)16(11-12-29(2,26)27)22-19(24)13-7-3-4-8-14(13)20(22)25/h3-10,16H,11-12H2,1-2H3,(H,21,23)
InChIKey URQOWYRXQNMXLF-UHFFFAOYSA-N
Mol Weight 416.45 g/mol
Molecular Formula C20H20N2O6S
Exact Mass 416.104208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1M1RxkkcV1
Name 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfonyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.104207540 u
Formula C20H20N2O6S
InChI InChI=1S/C20H20N2O6S/c1-28-17-10-6-5-9-15(17)21-18(23)16(11-12-29(2,26)27)22-19(24)13-7-3-4-8-14(13)20(22)25/h3-10,16H,11-12H2,1-2H3,(H,21,23)
InChIKey URQOWYRXQNMXLF-UHFFFAOYSA-N
Molecular Weight 416.448 g/mol
SMILES N(C(C(N1C(C2=CC=CC=C2C1=O)=O)CCS(=O)(=O)C)=O)C1=C(OC)C=CC=C1