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1-[(2R*,3S*)-3-Iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]benzotriazole
SpectraBase Compound ID JF9oB2TGWKu
InChI InChI=1S/C12H13IN4O2/c1-19-12(18)16-7-6-8(13)11(16)17-10-5-3-2-4-9(10)14-15-17/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKey QUVCJEPVUUZFLI-GZMMTYOYSA-N
Mol Weight 372.17 g/mol
Molecular Formula C12H13IN4O2
Exact Mass 372.008321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LWyJE8uSO
Name 1-[(2R*,3S*)-3-Iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]benzotriazole
Alternate Name(s) (2R,3S)-2-(1-benzotriazolyl)-3-iodo-1-pyrrolidinecarboxylic acid methyl ester Methyl (2R,3S)-2-(benzotriazol-1-yl)-3-iodopyrrolidine-1-carboxylate Methyl (2R,3S)-2-(benzotriazol-1-yl)-3-iodo-pyrrolidine-1-carboxylate Methyl (2R,3S)-2-(benzotriazol-1-yl)-3-iodanyl-pyrrolidine-1-carboxylate
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Formula C12H13IN4O2
InChI InChI=1S/C12H13IN4O2/c1-19-12(18)16-7-6-8(13)11(16)17-10-5-3-2-4-9(10)14-15-17/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKey QUVCJEPVUUZFLI-GZMMTYOYSA-N
Molecular Weight 372.166 g/mol
SMILES c12nn[n](c2cccc1)[C@]1(N(C(=O)OC)CC[C@@]1(I)[H])[H]
SPLASH splash10-0ufr-0960000000-a5d55b780ff89e510ca9
Source of Spectrum U1-2010-6637-15
Wiley ID 1664753