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Benzyl (2S)-tert-Butoxycarbonylamino-4-iodobutanoate
SpectraBase Compound ID G7DaHwluFDA
InChI InChI=1S/C16H22INO4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKey JEVYMKABCFNGIG-ZDUSSCGKSA-N
Mol Weight 419.26 g/mol
Molecular Formula C16H22INO4
Exact Mass 419.059353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImS3WmJuTIV
Name Benzyl (2S)-tert-Butoxycarbonylamino-4-iodobutanoate
Alternate Name(s) benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-iodobutanoate (2S)-4-iodo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester benzyl (2S)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate benzyl (2S)-2-(tert-butoxycarbonylamino)-4-iodo-butanoate (phenylmethyl) (2S)-4-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Formula C16H22INO4
InChI InChI=1S/C16H22INO4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKey JEVYMKABCFNGIG-ZDUSSCGKSA-N
Molecular Weight 419.259 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCI)[H]
SPLASH splash10-005i-0090000000-0789f3f1cbdc0f6faf16
Source of Spectrum KC-0-1906-7
Wiley ID 825713