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Benzyl 2-[(benzyloxycarbonyl)amino]-4-iodobutyrate
SpectraBase Compound ID 3xynvWpNowW
InChI InChI=1S/C19H20INO4/c20-12-11-17(18(22)24-13-15-7-3-1-4-8-15)21-19(23)25-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,23)
InChIKey NMYHSRLSUXZREG-UHFFFAOYSA-N
Mol Weight 453.28 g/mol
Molecular Formula C19H20INO4
Exact Mass 453.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bfl6GhhI8QC
Name Benzyl 2-[(benzyloxycarbonyl)amino]-4-iodobutyrate
Alternate Name(s) benzyl 2-{[(benzyloxy)carbonyl]amino}-4-iodobutanoate 4-iodo-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester benzyl 4-iodo-2-(phenylmethoxycarbonylamino)butanoate benzyl 2-(benzyloxycarbonylamino)-4-iodo-butanoate (phenylmethyl) 4-iodanyl-2-(phenylmethoxycarbonylamino)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H20INO4
InChI InChI=1S/C19H20INO4/c20-12-11-17(18(22)24-13-15-7-3-1-4-8-15)21-19(23)25-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,23)
InChIKey NMYHSRLSUXZREG-UHFFFAOYSA-N
Molecular Weight 453.276 g/mol
SMILES N(C(C(=O)OCc1ccccc1)CCI)C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-d9a561ef89e89f22521a
Source of Spectrum D8-328-369-7
Wiley ID 1515845