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N,N-bis(2-ethylhexyl)-4-morpholino-3-nitrobenzenesulfonamide
SpectraBase Compound ID 5Ume76ohbW4
InChI InChI=1S/C26H45N3O5S/c1-5-9-11-22(7-3)20-28(21-23(8-4)12-10-6-2)35(32,33)24-13-14-25(26(19-24)29(30)31)27-15-17-34-18-16-27/h13-14,19,22-23H,5-12,15-18,20-21H2,1-4H3
InChIKey KBWCYWVRWWGMBA-UHFFFAOYSA-N
Mol Weight 511.7 g/mol
Molecular Formula C26H45N3O5S
Exact Mass 511.307993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MhFcrxetV
Name N,N-bis(2-Ethylhexyl)-4-morpholino-3-nitrobenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.307992730 u
Formula C26H45N3O5S
InChI InChI=1S/C26H45N3O5S/c1-5-9-11-22(7-3)20-28(21-23(8-4)12-10-6-2)35(32,33)24-13-14-25(26(19-24)29(30)31)27-15-17-34-18-16-27/h13-14,19,22-23H,5-12,15-18,20-21H2,1-4H3
InChIKey KBWCYWVRWWGMBA-UHFFFAOYSA-N
Molecular Weight 511.722 g/mol
SMILES N(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC(CCCC)CC)CC(CC)CCCC)N1CCOCC1