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cyclohexanecarboxamide, N-[2-[[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-[[(phenylsulfonyl)amino]methyl]-
SpectraBase Compound ID 5UXqoCdPn5C
InChI InChI=1S/C24H31N3O5S/c1-32-22-10-6-5-7-20(22)16-25-23(28)17-26-24(29)19-13-11-18(12-14-19)15-27-33(30,31)21-8-3-2-4-9-21/h2-10,18-19,27H,11-17H2,1H3,(H,25,28)(H,26,29)
InChIKey RXYZVCVLNFFSQN-UHFFFAOYSA-N
Mol Weight 473.59 g/mol
Molecular Formula C24H31N3O5S
Exact Mass 473.198442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtOnzzs7Rax
Name Cyclohexanecarboxamide, N-[2-[[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-[[(phenylsulfonyl)amino]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.198442279 u
Formula C24H31N3O5S
InChI InChI=1S/C24H31N3O5S/c1-32-22-10-6-5-7-20(22)16-25-23(28)17-26-24(29)19-13-11-18(12-14-19)15-27-33(30,31)21-8-3-2-4-9-21/h2-10,18-19,27H,11-17H2,1H3,(H,25,28)(H,26,29)
InChIKey RXYZVCVLNFFSQN-UHFFFAOYSA-N
Molecular Weight 473.588 g/mol
SMILES N(S(=O)(=O)C1=CC=CC=C1)CC1CCC(C(NCC(NCC2=C(OC)C=CC=C2)=O)=O)CC1