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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwVknCTcXqH
Name (4S,5S)-1,3-dibenzyl-4-butyl-5-hydroxy-1,3-diazinan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1([C@@](N(C(N(Cc2ccccc2)C1)=O)Cc1ccccc1)(CCCC)[H])[H]
SPLASH splash10-0006-9110000000-41257abd68869ffa9f3a
Source of Spectrum O1-62-571-10
Synonyms (4S,5S)-1,3-dibenzyl-4-butyl-5-hydroxy-hexahydropyrimidin-2-one (4S,5S)-4-butyl-5-hydroxy-1,3-bis(phenylmethyl)-1,3-diazinan-2-one (4S,5S)-4-butyl-5-oxidanyl-1,3-bis(phenylmethyl)-1,3-diazinan-2-one
Wiley ID 1592473