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4-Imidazolidinepropanoic acid, 3-benzoyl-2-(1,1-dimethylethyl)-1,4-dimethyl-5-oxo-, (2S-cis)-
SpectraBase Compound ID AmcmNVW7arm
InChI InChI=1S/C19H26N2O4/c1-18(2,3)16-20(5)17(25)19(4,12-11-14(22)23)21(16)15(24)13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3,(H,22,23)
InChIKey JCRXINIPPSXFEX-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C19H26N2O4
Exact Mass 346.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RmxlvMl2uC
Name 4-Imidazolidinepropanoic acid, 3-benzoyl-2-(1,1-dimethylethyl)-1,4-dimethyl-5-oxo-, (2S-cis)-
CAS Registry Number 103825-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O4
InChI InChI=1S/C19H26N2O4/c1-18(2,3)16-20(5)17(25)19(4,12-11-14(22)23)21(16)15(24)13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3,(H,22,23)
InChIKey JCRXINIPPSXFEX-UHFFFAOYSA-N
Molecular Weight 346.427 g/mol
SMILES OC(CCC1(C(N(C(N1C(=O)c1ccccc1)C(C)(C)C)C)=O)C)=O
SPLASH splash10-0a4i-7910000000-1f8d44119ea985fea79d
Synonyms 3-(3-Benzoyl-2-tert-butyl-1,4-dimethyl-5-oxo-4-imidazolidinyl)propanoic acid 3-(3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxo-imidazolidin-4-yl)propanoic acid 3-(3-benzoyl-2-tert-butyl-5-keto-1,4-dimethyl-imidazolidin-4-yl)propionic acid 3-[2-tert-butyl-1,4-dimethyl-5-oxidanylidene-3-(phenylcarbonyl)imidazolidin-4-yl]propanoic acid
Wiley ID 1485948