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(4S)-1,3-dibenzyl-4-butyl-1,3-diazinane-2,5-dione
SpectraBase Compound ID KXA9tQ56qhj
InChI InChI=1S/C22H26N2O2/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/h4-13,20H,2-3,14-17H2,1H3/t20-/m0/s1
InChIKey DGEULWIRJGKGLA-FQEVSTJZSA-N
Mol Weight 350.46 g/mol
Molecular Formula C22H26N2O2
Exact Mass 350.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ykvHPiHTyP
Name (4S)-1,3-dibenzyl-4-butyl-1,3-diazinane-2,5-dione
Alternate Name(s) (4S)-1,3-dibenzyl-4-butyl-hexahydropyrimidine-2,5-dione (4S)-1,3-dibenzyl-4-butyl-hexahydropyrimidine-2,5-quinone (4S)-4-butyl-1,3-bis(phenylmethyl)-1,3-diazinane-2,5-dione
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Formula C22H26N2O2
InChI InChI=1S/C22H26N2O2/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/h4-13,20H,2-3,14-17H2,1H3/t20-/m0/s1
InChIKey DGEULWIRJGKGLA-FQEVSTJZSA-N
Molecular Weight 350.462 g/mol
SMILES C1(N([C@](C(CN1Cc1ccccc1)=O)(CCCC)[H])Cc1ccccc1)=O
SPLASH splash10-00kf-9173000000-8d710989e0c7e4800d65
Source of Spectrum O1-62-570-9
Wiley ID 1592477