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2-[(2R*,3S*)-3-Iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]benzotriazole
SpectraBase Compound ID KNh4Y5vaMky
InChI InChI=1S/C12H13IN4O2/c1-19-12(18)16-7-6-8(13)11(16)17-14-9-4-2-3-5-10(9)15-17/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKey YYANVQSXWVSLEK-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 6uU9fRv8BMJ
Name 2-[(2R*,3S*)-3-Iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IN4O2
InChI InChI=1S/C12H13IN4O2/c1-19-12(18)16-7-6-8(13)11(16)17-14-9-4-2-3-5-10(9)15-17/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKey YYANVQSXWVSLEK-GZMMTYOYSA-N
Molecular Weight 372.166 g/mol
SMILES [C@@]1([n]2nc3ccccc3n2)(N(C(=O)OC)CC[C@@]1(I)[H])[H]
SPLASH splash10-0ufr-0690000000-e0e0376cb25027e6f89a
Source of Spectrum U1-2010-6637-16
Synonyms (2R,3S)-2-(2-benzotriazolyl)-3-iodo-1-pyrrolidinecarboxylic acid methyl ester Methyl (2R,3S)-2-(benzotriazol-2-yl)-3-iodopyrrolidine-1-carboxylate Methyl (2R,3S)-2-(benzotriazol-2-yl)-3-iodo-pyrrolidine-1-carboxylate Methyl (2R,3S)-2-(benzotriazol-2-yl)-3-iodanyl-pyrrolidine-1-carboxylate
Wiley ID 1664752