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4-Imidazolidineacetic acid, 3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-, (2R-cis)-
SpectraBase Compound ID 9ASbmcQmroK
InChI InChI=1S/C17H22N2O4/c1-17(2,3)16-18(4)15(23)12(10-13(20)21)19(16)14(22)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3,(H,20,21)/t12-,16+/m0/s1
InChIKey WQQOZZQDUKQCQO-BLLLJJGKSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JAhRY2t8lv
Name 4-Imidazolidineacetic acid, 3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-, (2R-cis)-
CAS Registry Number 103825-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-17(2,3)16-18(4)15(23)12(10-13(20)21)19(16)14(22)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3,(H,20,21)/t12-,16+/m0/s1
InChIKey WQQOZZQDUKQCQO-BLLLJJGKSA-N
Molecular Weight 318.373 g/mol
SMILES OC(C[C@]1(C(=O)N([C@](N1C(=O)c1ccccc1)(C(C)(C)C)[H])C)[H])=O
SPLASH splash10-0a4i-2920000000-9a4795780afd047fd425
Source of Spectrum H-68-1513-11
Synonyms 2-[(2R,4S)-3-benzoyl-2-(tert-butyl)-1-methyl-5-oxoimidazolidin-4-yl]essigsaure [(2R,4S)-3-benzoyl-2-tert-butyl-1-methyl-5-oxoimidazolidinyl]acetic acid
Wiley ID 1318427