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(2S,5S,6R)-1-benzoyl-2-tert-butyl-5-[(S)-hydroxy(phenyl)methyl]-3,6-dimethyl-1,3-diazinan-4-one

View entire compound with spectra: 1 MS (GC)

(2S,5S,6R)-1-benzoyl-2-tert-butyl-5-[(S)-hydroxy(phenyl)methyl]-3,6-dimethyl-1,3-diazinan-4-one
SpectraBase Compound ID 3Oos9IIG5QS
InChI InChI=1S/C24H30N2O3/c1-16-19(20(27)17-12-8-6-9-13-17)22(29)25(5)23(24(2,3)4)26(16)21(28)18-14-10-7-11-15-18/h6-16,19-20,23,27H,1-5H3/t16-,19+,20-,23+/m1/s1
InChIKey UUOFFTUHVZSCIZ-WOSKWAQLSA-N
Mol Weight 394.52 g/mol
Molecular Formula C24H30N2O3
Exact Mass 394.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsOAa1J4WwB
Name (2S,5S,6R)-1-benzoyl-2-tert-butyl-5-[(S)-hydroxy(phenyl)methyl]-3,6-dimethyl-1,3-diazinan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O3
InChI InChI=1S/C24H30N2O3/c1-16-19(20(27)17-12-8-6-9-13-17)22(29)25(5)23(24(2,3)4)26(16)21(28)18-14-10-7-11-15-18/h6-16,19-20,23,27H,1-5H3/t16-,19+,20-,23+/m1/s1
InChIKey UUOFFTUHVZSCIZ-WOSKWAQLSA-N
Molecular Weight 394.515 g/mol
SMILES O[C@@]([C@]1(C(=O)N([C@@](N([C@@]1(C)[H])C(=O)c1ccccc1)(C(C)(C)C)[H])C)[H])(c1ccccc1)[H]
SPLASH splash10-0a7i-8952000000-1970414b73afd8c2edcd
Source of Spectrum H1-39-338-17
Synonyms (2S,5S,6R)-1-benzoyl-2-tert-butyl-5-[(S)-hydroxy(phenyl)methyl]-3,6-dimethyl-hexahydropyrimidin-4-one (2S,5S,6R)-2-tert-butyl-3,6-dimethyl-5-[(S)-oxidanyl(phenyl)methyl]-1-(phenylcarbonyl)-1,3-diazinan-4-one
Wiley ID 756792