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N-[(E)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyleneamino]-4-methyl-benzenesulfonamide

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

N-[(E)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyleneamino]-4-methyl-benzenesulfonamide
SpectraBase Compound ID DKSNK525SCx
InChI InChI=1S/C18H26N2O6S/c1-12-6-8-13(9-7-12)27(21,22)20-19-10-14-16(26-18(4,5)24-14)15-11-23-17(2,3)25-15/h6-10,14-16,20H,11H2,1-5H3/b19-10+/t14-,15+,16+/m0/s1
InChIKey XSYPMPGPERYIKJ-HQBSMCSISA-N
Mol Weight 398.47 g/mol
Molecular Formula C18H26N2O6S
Exact Mass 398.151158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIRFBPqBbnl
Name N-[(E)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyleneamino]-4-methyl-benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.151157733 u
Formula C18H26N2O6S
InChI InChI=1S/C18H26N2O6S/c1-12-6-8-13(9-7-12)27(21,22)20-19-10-14-16(26-18(4,5)24-14)15-11-23-17(2,3)25-15/h6-10,14-16,20H,11H2,1-5H3/b19-10+/t14-,15+,16+/m0/s1
InChIKey XSYPMPGPERYIKJ-HQBSMCSISA-N
Molecular Weight 398.474 g/mol
SMILES [C@]1(\C=N\NS(C=2C=CC(=CC2)C)(=O)=O)([C@]([C@@]2(OC(C)(C)OC2)[H])(OC(O1)(C)C)[H])[H]