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(2S,5S)-2-tert-butyl-5-(2-iodo-4-methoxy-5-methylol-benzyl)-4-keto-3-methyl-imidazolidine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 8mIY8mSf6F0
InChI InChI=1S/C22H33IN2O5/c1-21(2,3)19-24(7)18(27)16(25(19)20(28)30-22(4,5)6)10-13-9-14(12-26)17(29-8)11-15(13)23/h9,11,16,19,26H,10,12H2,1-8H3/t16-,19-/m0/s1
InChIKey HMIRHQVUEUUTMW-LPHOPBHVSA-N
Mol Weight 532.4 g/mol
Molecular Formula C22H33IN2O5
Exact Mass 532.143417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BWiu0DJ4a
Name (2S,5S)-2-tert-butyl-5-(2-iodo-4-methoxy-5-methylol-benzyl)-4-keto-3-methyl-imidazolidine-1-carboxylic acid tert-butyl ester
Alternate Name(s) (2S,5S)-2-tert-butyl-5-[[5-(hydroxymethyl)-2-iodo-4-methoxyphenyl]methyl]-3-methyl-4-oxo-1-imidazolidinecarboxylic acid tert-butyl ester tert-Butyl (2S,5S)-2-tert-butyl-5-[[5-(hydroxymethyl)-2-iodanyl-4-methoxy-phenyl]methyl]-3-methyl-4-oxidanylidene-imidazolidine-1-carboxylate tert-Butyl (2S,5S)-2-tert-butyl-5-[[5-(hydroxymethyl)-2-iodo-4-methoxy-phenyl]methyl]-3-methyl-4-oxo-imidazolidine-1-carboxylate
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Formula C22H33IN2O5
InChI InChI=1S/C22H33IN2O5/c1-21(2,3)19-24(7)18(27)16(25(19)20(28)30-22(4,5)6)10-13-9-14(12-26)17(29-8)11-15(13)23/h9,11,16,19,26H,10,12H2,1-8H3/t16-,19-/m0/s1
InChIKey HMIRHQVUEUUTMW-LPHOPBHVSA-N
Molecular Weight 532.419 g/mol
SMILES OCc1cc(C[C@]2(C(=O)N([C@@](N2C(OC(C)(C)C)=O)(C(C)(C)C)[H])C)[H])c(cc1OC)I
SPLASH splash10-056r-5069500000-228e6799fba1aba88c94
Source of Spectrum AJ-73-422-34
Wiley ID 775325