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(2R,5S)-1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
SpectraBase Compound ID AwoL3mk5jc0
InChI InChI=1S/C18H26N2O2S/c1-18(2,3)17-19(4)16(22)14(11-12-23-5)20(17)15(21)13-9-7-6-8-10-13/h6-10,14,17H,11-12H2,1-5H3/t14-,17+/m0/s1
InChIKey MJXJCPCXJYRRJX-WMLDXEAASA-N
Mol Weight 334.48 g/mol
Molecular Formula C18H26N2O2S
Exact Mass 334.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6cvkfZXNBl
Name (2R,5S)-1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CAS Registry Number 97443-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O2S
InChI InChI=1S/C18H26N2O2S/c1-18(2,3)17-19(4)16(22)14(11-12-23-5)20(17)15(21)13-9-7-6-8-10-13/h6-10,14,17H,11-12H2,1-5H3/t14-,17+/m0/s1
InChIKey MJXJCPCXJYRRJX-WMLDXEAASA-N
Molecular Weight 334.478 g/mol
SMILES [C@]1(N([C@](C(N1C)=O)(CCSC)[H])C(=O)c1ccccc1)(C(C)(C)C)[H]
SPLASH splash10-056r-5790000000-7f14fde1321b2657226e
Source of Spectrum H-68-142-13
Synonyms (2R,5S)-1-benzoyl-2-tert-butyl-3-methyl-5-[2-(methylthio)ethyl]-4-imidazolidinone (2R,5S)-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)-1-(phenylcarbonyl)imidazolidin-4-one
Wiley ID 1330911