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(4S,5S)-1,3-dibenzyl-4-butyl-5-hydroxy-1,3-diazinan-2-one

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(4S,5S)-1,3-dibenzyl-4-butyl-5-hydroxy-1,3-diazinan-2-one
SpectraBase Compound ID 5iATAshWr34
InChI InChI=1S/C22H28N2O2/c1-2-3-14-20-21(25)17-23(15-18-10-6-4-7-11-18)22(26)24(20)16-19-12-8-5-9-13-19/h4-13,20-21,25H,2-3,14-17H2,1H3/t20-,21-/m0/s1
InChIKey CWINUUHBRUISKX-SFTDATJTSA-N
Mol Weight 352.48 g/mol
Molecular Formula C22H28N2O2
Exact Mass 352.215078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VGiVmvOIhp
Name (4S,5S)-1,3-Dibenzyl-4-butyl-5-hydroxy-1,3-diazinan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.215078148 u
Formula C22H28N2O2
InChI InChI=1S/C22H28N2O2/c1-2-3-14-20-21(25)17-23(15-18-10-6-4-7-11-18)22(26)24(20)16-19-12-8-5-9-13-19/h4-13,20-21,25H,2-3,14-17H2,1H3/t20-,21-/m0/s1
InChIKey CWINUUHBRUISKX-SFTDATJTSA-N
Molecular Weight 352.478 g/mol
SMILES C1(N([C@]([C@](CN1CC=1C=CC=CC1)(O)[H])(CCCC)[H])CC=1C=CC=CC1)=O