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2-(2-isopropyl-5-methylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide

View entire compound with spectra: 2 NMR

2-(2-isopropyl-5-methylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
SpectraBase Compound ID IgihqSf1QBw
InChI InChI=1S/C22H28N2O4S/c1-16(2)20-11-6-17(3)14-21(20)28-15-22(25)23-18-7-9-19(10-8-18)29(26,27)24-12-4-5-13-24/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKey NRTGQFMEWDOQCY-UHFFFAOYSA-N
Mol Weight 416.54 g/mol
Molecular Formula C22H28N2O4S
Exact Mass 416.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22XNDkX0UmW
Name 2-(2-Isopropyl-5-methylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.176978560 u
Formula C22H28N2O4S
InChI InChI=1S/C22H28N2O4S/c1-16(2)20-11-6-17(3)14-21(20)28-15-22(25)23-18-7-9-19(10-8-18)29(26,27)24-12-4-5-13-24/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKey NRTGQFMEWDOQCY-UHFFFAOYSA-N
Molecular Weight 416.536 g/mol
SMILES N(C(=O)COC1=C(C=CC(=C1)C)C(C)C)C=1C=CC(S(N2CCCC2)(=O)=O)=CC1