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4-Imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3,5-dimethyl-5-(1-methyl-2-nitroethyl)-
SpectraBase Compound ID 3sUsZ7MGVuG
InChI InChI=1S/C19H27N3O4/c1-13(12-22(25)26)18(5)16(24)21(6)19(20-18,17(2,3)4)15(23)14-10-8-7-9-11-14/h7-11,13,20H,12H2,1-6H3/t13?,18-,19+/m0/s1
InChIKey UIPRWWNXUSHGEK-WFELRXAXSA-N
Mol Weight 361.44 g/mol
Molecular Formula C19H27N3O4
Exact Mass 361.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDp7UflOWrQ
Name 4-Imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3,5-dimethyl-5-(1-methyl-2-nitroethyl)-
CAS Registry Number 104194-11-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27N3O4
InChI InChI=1S/C19H27N3O4/c1-13(12-22(25)26)18(5)16(24)21(6)19(20-18,17(2,3)4)15(23)14-10-8-7-9-11-14/h7-11,13,20H,12H2,1-6H3/t13?,18-,19+/m0/s1
InChIKey UIPRWWNXUSHGEK-WFELRXAXSA-N
Molecular Weight 361.442 g/mol
SMILES N1[C@](C(N([C@]1(C(=O)c1ccccc1)C(C)(C)C)C)=O)(C(CN(=O)=O)C)C
SPLASH splash10-0pdi-7906000000-def0f02231906a66d4e7
Source of Spectrum H-68-1600-14
Synonyms (2S,5S)-2-benzoyl-2-tert-butyl-3,5-dimethyl-5-(1-methyl-2-nitroethyl)-4-imidazolidinone (2S,5S)-benzoyl-2-(tert-butyl)-3,5-dimethyl-5-(1'-nitropropan-2'-yl)imidazoladin-4-on
Wiley ID 1348961