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(4R,5R)-1-(2R)-1-Chlorobutan-2-yl)-2,6-dioxo-4-methyl-3-phenyl-5-(N-phenylcarbamoyl)perhydropyrimidine
SpectraBase Compound ID IyZfPecdGVJ
InChI InChI=1S/C22H24ClN3O3/c1-3-17(14-23)26-21(28)19(20(27)24-16-10-6-4-7-11-16)15(2)25(22(26)29)18-12-8-5-9-13-18/h4-13,15,17,19H,3,14H2,1-2H3,(H,24,27)/t15-,17-,19-/m1/s1
InChIKey VIQDGSYNROKKDH-SZVBFZGTSA-N
Mol Weight 413.91 g/mol
Molecular Formula C22H24ClN3O3
Exact Mass 413.150619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NHsXYpliy9
Name (4R,5R)-1-(2R)-1-Chlorobutan-2-yl)-2,6-dioxo-4-methyl-3-phenyl-5-(N-phenylcarbamoyl)perhydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClN3O3
InChI InChI=1S/C22H24ClN3O3/c1-3-17(14-23)26-21(28)19(20(27)24-16-10-6-4-7-11-16)15(2)25(22(26)29)18-12-8-5-9-13-18/h4-13,15,17,19H,3,14H2,1-2H3,(H,24,27)/t15-,17-,19-/m1/s1
InChIKey VIQDGSYNROKKDH-SZVBFZGTSA-N
Molecular Weight 413.905 g/mol
SMILES N(C([C@@]1(C(N(C(N(c2ccccc2)[C@@]1(C)[H])=O)[C@@](CCl)(CC)[H])=O)[H])=O)c1ccccc1
SPLASH splash10-016r-0947200000-80334bc26fbd7a5ec5dd
Source of Spectrum F-57-10145-18
Synonyms (4R,5R)-1-[(2R)-1-chlorobutan-2-yl]-4-methyl-2,6-dioxo-N,3-diphenyl-1,3-diazinane-5-carboxamide (4R,5R)-1-[(1R)-1-(chloromethyl)propyl]-4-methyl-2,6-dioxo-N,3-diphenyl-hexahydropyrimidine-5-carboxamide (4R,5R)-1-[(2R)-1-chloranylbutan-2-yl]-4-methyl-2,6-bis(oxidanylidene)-N,3-diphenyl-1,3-diazinane-5-carboxamide
Wiley ID 1626737