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2,5-Dimethyl-6-[N-methyl-S-(phenylsulfonimidoyl)]-4-phenyl-5-hexen-3-yl carbamate

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2,5-Dimethyl-6-[N-methyl-S-(phenylsulfonimidoyl)]-4-phenyl-5-hexen-3-yl carbamate
SpectraBase Compound ID 9UataMiDnFo
InChI InChI=1S/C22H28N2O3S/c1-16(2)21(27-22(23)25)20(18-11-7-5-8-12-18)17(3)15-28(26,24-4)19-13-9-6-10-14-19/h5-16,20-21H,1-4H3,(H2,23,25)/b17-15-/t20-,21-,28?/m0/s1
InChIKey DBEGXSVTWSIPLP-ZZZHYEBPSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Y7neZN5Igk
Name 2,5-Dimethyl-6-[N-methyl-S-(phenylsulfonimidoyl)]-4-phenyl-5-hexen-3-yl carbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.182063941 u
Formula C22H28N2O3S
InChI InChI=1S/C22H28N2O3S/c1-16(2)21(27-22(23)25)20(18-11-7-5-8-12-18)17(3)15-28(26,24-4)19-13-9-6-10-14-19/h5-16,20-21H,1-4H3,(H2,23,25)/b17-15-/t20-,21-,28?/m0/s1
InChIKey DBEGXSVTWSIPLP-ZZZHYEBPSA-N
Molecular Weight 400.537 g/mol
SMILES [C@](\C(=C/S(=NC)(=O)C1=CC=CC=C1)C)([C@@](OC(=O)N)(C(C)C)[H])(C1=CC=CC=C1)[H]