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Pentanamide, N-[4-[[[3-(didodecylamino)phenyl]amino]sulfonyl]phenyl]-4,4-dimethyl-3-oxo-

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Pentanamide, N-[4-[[[3-(didodecylamino)phenyl]amino]sulfonyl]phenyl]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID JIeZbRCbXiA
InChI InChI=1S/C43H71N3O4S/c1-6-8-10-12-14-16-18-20-22-24-33-46(34-25-23-21-19-17-15-13-11-9-7-2)39-28-26-27-38(35-39)45-51(49,50)40-31-29-37(30-32-40)44-42(48)36-41(47)43(3,4)5/h26-32,35,45H,6-25,33-34,36H2,1-5H3,(H,44,48)
InChIKey YFWCUPXFCUFEOW-UHFFFAOYSA-N
Mol Weight 726.1 g/mol
Molecular Formula C43H71N3O4S
Exact Mass 725.516529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59MfD2ov7dO
Name Pentanamide, N-[4-[[[3-(didodecylamino)phenyl]amino]sulfonyl]phenyl]-4,4-dimethyl-3-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 725.516528948 u
Formula C43H71N3O4S
InChI InChI=1S/C43H71N3O4S/c1-6-8-10-12-14-16-18-20-22-24-33-46(34-25-23-21-19-17-15-13-11-9-7-2)39-28-26-27-38(35-39)45-51(49,50)40-31-29-37(30-32-40)44-42(48)36-41(47)43(3,4)5/h26-32,35,45H,6-25,33-34,36H2,1-5H3,(H,44,48)
InChIKey YFWCUPXFCUFEOW-UHFFFAOYSA-N
Molecular Weight 726.118 g/mol
SMILES CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=CC(=C1)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(=O)C(C)(C)C