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(4S,5S)-4-benzyl-5-[2-(iodomethyl)allyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID GlIyQZEREzM
InChI InChI=1S/C21H30INO3/c1-15(14-22)12-18-17(13-16-10-8-7-9-11-16)23(21(5,6)25-18)19(24)26-20(2,3)4/h7-11,17-18H,1,12-14H2,2-6H3/t17-,18-/m0/s1
InChIKey PKLIYKNGVAKHLH-ROUUACIJSA-N
Mol Weight 471.38 g/mol
Molecular Formula C21H30INO3
Exact Mass 471.127039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GejcsNAmTbD
Name (4S,5S)-4-benzyl-5-[2-(iodomethyl)allyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
Alternate Name(s) (4S,5S)-5-[2-(iodomethyl)prop-2-enyl]-2,2-dimethyl-4-(phenylmethyl)-3-oxazolidinecarboxylic acid tert-butyl ester tert-Butyl (4S,5S)-4-benzyl-5-[2-(iodomethyl)allyl]-2,2-dimethyl-oxazolidine-3-carboxylate tert-Butyl (4S,5S)-4-benzyl-5-[2-(iodomethyl)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate tert-Butyl (4S,5S)-5-[2-(iodanylmethyl)prop-2-enyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylate
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Formula C21H30INO3
InChI InChI=1S/C21H30INO3/c1-15(14-22)12-18-17(13-16-10-8-7-9-11-16)23(21(5,6)25-18)19(24)26-20(2,3)4/h7-11,17-18H,1,12-14H2,2-6H3/t17-,18-/m0/s1
InChIKey PKLIYKNGVAKHLH-ROUUACIJSA-N
Molecular Weight 471.379 g/mol
SMILES C(N1C(O[C@]([C@@]1(Cc1ccccc1)[H])(CC(=C)CI)[H])(C)C)(OC(C)(C)C)=O
SPLASH splash10-0a4l-9011100000-c6c53dbbef8d789da3bc
Source of Spectrum J-59-3767-46
Wiley ID 1393083