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Benzenesulfonamide, N-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,4-dimethyl-
SpectraBase Compound ID 3DgKisuTLfE
InChI InChI=1S/C25H28N2O2S/c1-20-12-16-23(17-13-20)30(28,29)26(2)18-7-19-27-24-10-5-3-8-21(24)14-15-22-9-4-6-11-25(22)27/h3-6,8-13,16-17H,7,14-15,18-19H2,1-2H3
InChIKey DRHFEKDICYEZND-UHFFFAOYSA-N
Mol Weight 420.57 g/mol
Molecular Formula C25H28N2O2S
Exact Mass 420.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66de8IyOLGs
Name Benzenesulfonamide, N-[3-(10,11-dihydro-5H-dibenzo[B,F]azepin-5-yl)propyl]-N,4-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.187149322 u
Formula C25H28N2O2S
InChI InChI=1S/C25H28N2O2S/c1-20-12-16-23(17-13-20)30(28,29)26(2)18-7-19-27-24-10-5-3-8-21(24)14-15-22-9-4-6-11-25(22)27/h3-6,8-13,16-17H,7,14-15,18-19H2,1-2H3
InChIKey DRHFEKDICYEZND-UHFFFAOYSA-N
Molecular Weight 420.571 g/mol
SMILES C=1C=CC=2N(CCCN(S(C3=CC=C(C=C3)C)(=O)=O)C)C3=C(CCC2C1)C=CC=C3