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N-(2-Benzenesulfonyl-ethyl)-N-[1,2-bis-(3,4-dimethoxy-phenyl)-ethyl]-formamide
SpectraBase Compound ID 9OnkjA6xVEy
InChI InChI=1S/C27H31NO7S/c1-32-24-12-10-20(17-26(24)34-3)16-23(21-11-13-25(33-2)27(18-21)35-4)28(19-29)14-15-36(30,31)22-8-6-5-7-9-22/h5-13,17-19,23H,14-16H2,1-4H3
InChIKey GEGHOMIQRBPYDX-UHFFFAOYSA-N
Mol Weight 513.61 g/mol
Molecular Formula C27H31NO7S
Exact Mass 513.182124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sN6Vk12MdI
Name N-(2-Benzenesulfonyl-ethyl)-N-[1,2-bis-(3,4-dimethoxy-phenyl)-ethyl]-formamide
Comments Computed using HOSE algorithm
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Exact Mass 513.182123509 u
Formula C27H31NO7S
InChI InChI=1S/C27H31NO7S/c1-32-24-12-10-20(17-26(24)34-3)16-23(21-11-13-25(33-2)27(18-21)35-4)28(19-29)14-15-36(30,31)22-8-6-5-7-9-22/h5-13,17-19,23H,14-16H2,1-4H3
InChIKey GEGHOMIQRBPYDX-UHFFFAOYSA-N
Molecular Weight 513.605 g/mol
SMILES C(S(=O)(=O)C1=CC=CC=C1)CN(C(C1=CC(OC)=C(C=C1)OC)CC1=CC(OC)=C(C=C1)OC)C=O