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Benzenesulfonamide, 4-methyl-N-[3-(2-oxoazacyclotridec-1-yl)propyl]-
SpectraBase Compound ID KHo1urPEP2Z
InChI InChI=1S/C22H36N2O3S/c1-20-13-15-21(16-14-20)28(26,27)23-17-11-19-24-18-10-8-6-4-2-3-5-7-9-12-22(24)25/h13-16,23H,2-12,17-19H2,1H3
InChIKey OCYQTRCMUZYIAT-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H36N2O3S
Exact Mass 408.244664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1V6WmOIFIwL
Name Benzenesulfonamide, 4-methyl-N-[3-(2-oxoazacyclotridec-1-yl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.244664198 u
Formula C22H36N2O3S
InChI InChI=1S/C22H36N2O3S/c1-20-13-15-21(16-14-20)28(26,27)23-17-11-19-24-18-10-8-6-4-2-3-5-7-9-12-22(24)25/h13-16,23H,2-12,17-19H2,1H3
InChIKey OCYQTRCMUZYIAT-UHFFFAOYSA-N
Molecular Weight 408.601 g/mol
SMILES C1(S(=O)(=O)NCCCN2C(=O)CCCCCCCCCCC2)=CC=C(C=C1)C