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N,N-Diethyl-2-benzyl-4-methyl-3-(p-tolylsulfonyl)pentamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N,N-Diethyl-2-benzyl-4-methyl-3-(p-tolylsulfonyl)pentamide
SpectraBase Compound ID 9GW7OknfGS0
InChI InChI=1S/C24H33NO3S/c1-6-25(7-2)24(26)22(17-20-11-9-8-10-12-20)23(18(3)4)29(27,28)21-15-13-19(5)14-16-21/h8-16,18,22-23H,6-7,17H2,1-5H3
InChIKey HAHQJTPVRRTKHX-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C24H33NO3S
Exact Mass 415.218115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTOFLhf6tWZ
Name N,N-Diethyl-2-benzyl-4-methyl-3-(p-tolylsulfonyl)pentamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.218115098 u
Formula C24H33NO3S
InChI InChI=1S/C24H33NO3S/c1-6-25(7-2)24(26)22(17-20-11-9-8-10-12-20)23(18(3)4)29(27,28)21-15-13-19(5)14-16-21/h8-16,18,22-23H,6-7,17H2,1-5H3
InChIKey HAHQJTPVRRTKHX-UHFFFAOYSA-N
Molecular Weight 415.592 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(C(C(N(CC)CC)=O)CC=1C=CC=CC1)C(C)C