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1-Pyrrolidinecarboxylic acid, 3-(benzoyloxy)-2-(iodomethyl)-, methyl ester, trans-
SpectraBase Compound ID 8hK6LxaP6Wv
InChI InChI=1S/C14H16INO4/c1-19-14(18)16-8-7-12(11(16)9-15)20-13(17)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m1/s1
InChIKey COFXDZJSYLPNHV-NEPJUHHUSA-N
Mol Weight 389.19 g/mol
Molecular Formula C14H16INO4
Exact Mass 389.012403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSeOTYleEw2
Name 1-Pyrrolidinecarboxylic acid, 3-(benzoyloxy)-2-(iodomethyl)-, methyl ester, trans-
Alternate Name(s) Methyl (2S,3S)-3-(benzoyloxy)-2-(iodomethyl)-1-pyrrolidinecarboxylate trans-N-(methoxycarbonyl)-2-(iodomethyl)-3-(benzoyloxy)pyrrolidine
CAS Registry Number 117754-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16INO4
InChI InChI=1S/C14H16INO4/c1-19-14(18)16-8-7-12(11(16)9-15)20-13(17)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m1/s1
InChIKey COFXDZJSYLPNHV-NEPJUHHUSA-N
Molecular Weight 389.189 g/mol
SMILES C(N1[C@@]([C@@](OC(=O)c2ccccc2)(CC1)[H])(CI)[H])(=O)OC
SPLASH splash10-0a4i-0940000000-befc3ba85c33eba5a0d7
Source of Spectrum J-53-5499-0
Wiley ID 1364242