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Mercury, [8-hydroxy-6-(phenylsulfonyl)-2-oxa-6-azatricyclo[3.3.1.13,7]dec-4-yl]iodo-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
SpectraBase Compound ID 8e8eVVNtcgQ
InChI InChI=1S/C14H16NO4S.Hg.HI/c16-14-12-8-10-6-9(7-13(14)19-10)15(12)20(17,18)11-4-2-1-3-5-11;;/h1-6,9-10,12-14,16H,7-8H2;;1H/q;+1;/p-1/t9-,10+,12+,13-,14+;;/m1../s1
InChIKey FSPDZGYCNJOENB-ALISVJNASA-M
Mol Weight 621.84 g/mol
Molecular Formula C14H16HgINO4S
Exact Mass 622.955118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PqrG4g30mX
Name Mercury, [8-hydroxy-6-(phenylsulfonyl)-2-oxa-6-azatricyclo[3.3.1.13,7]dec-4-yl]iodo-, (1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.,8.alpha.)-
CAS Registry Number 50456-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16HgINO4S
InChI InChI=1S/C14H16NO4S.Hg.HI/c16-14-12-8-10-6-9(7-13(14)19-10)15(12)20(17,18)11-4-2-1-3-5-11;;/h1-6,9-10,12-14,16H,7-8H2;;1H/q;+1;/p-1/t9-,10+,12+,13-,14+;;/m1../s1
InChIKey FSPDZGYCNJOENB-ALISVJNASA-M
Molecular Weight 621.842 g/mol
SMILES O[C@@]1([C@@]2(O[C@@]3(C[C@@]1(N(S(=O)(=O)c1ccccc1)[C@]([C@]3([Hg]I)[H])(C2)[H])[H])[H])[H])[H]
SPLASH splash10-0006-8792130000-b14928246c904c71173b
Source of Spectrum H-56-1981-26
Synonyms N-Benzolsulfonyl-4N-hydroxy-8n-iodomercury-2-oxa-6aza-adamantane [(1R,3R,4R,5R,7S,8S)-8-hydroxy-6-(phenylsulfonyl)-2-oxa-6-azatricyclo[3.3.1.1(3,7)]dec-4-yl](iodo)mercury
Wiley ID 1411709