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N-(2,2-dimethoxyethyl)-4-methyl-N-(3,4,5-trimethoxybenzyl)benzenesulfonamide
SpectraBase Compound ID GipjkP38XIz
InChI InChI=1S/C21H29NO7S/c1-15-7-9-17(10-8-15)30(23,24)22(14-20(27-4)28-5)13-16-11-18(25-2)21(29-6)19(12-16)26-3/h7-12,20H,13-14H2,1-6H3
InChIKey LHFIPOQEWIBEIN-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C21H29NO7S
Exact Mass 439.166473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSI7E7l0ubq
Name N-(2,2-Dimethoxyethyl)-4-methyl-N-(3,4,5-trimethoxybenzyl)benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 439.166473445 u
Formula C21H29NO7S
InChI InChI=1S/C21H29NO7S/c1-15-7-9-17(10-8-15)30(23,24)22(14-20(27-4)28-5)13-16-11-18(25-2)21(29-6)19(12-16)26-3/h7-12,20H,13-14H2,1-6H3
InChIKey LHFIPOQEWIBEIN-UHFFFAOYSA-N
Molecular Weight 439.523 g/mol
SMILES C(N(S(C1=CC=C(C=C1)C)(=O)=O)CC1=CC(OC)=C(C(=C1)OC)OC)C(OC)OC