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1,5-Diazacycloundecan-6-one, 1-[(4-methylphenyl)sulfonyl]-

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

1,5-Diazacycloundecan-6-one, 1-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 5LKNspc4cd8
InChI InChI=1S/C16H24N2O3S/c1-14-7-9-15(10-8-14)22(20,21)18-12-4-2-3-6-16(19)17-11-5-13-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKey SNALRDNOCKSCQN-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C16H24N2O3S
Exact Mass 324.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYihgyUyyx8
Name 1,5-Diazacycloundecan-6-one, 1-[(4-methylphenyl)sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.150763812 u
Formula C16H24N2O3S
InChI InChI=1S/C16H24N2O3S/c1-14-7-9-15(10-8-14)22(20,21)18-12-4-2-3-6-16(19)17-11-5-13-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKey SNALRDNOCKSCQN-UHFFFAOYSA-N
Molecular Weight 324.439 g/mol
SMILES C1N(S(C=2C=CC(=CC2)C)(=O)=O)CCCCCC(NCC1)=O