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DL-cis-Inositol, 3,4-anhydro-1,2,5-trideoxy-1,2-[(phenylsulfonyl)imino]-
SpectraBase Compound ID Q4XlGdRApC
InChI InChI=1S/C12H13NO4S/c14-8-6-9-12(17-9)11-10(8)13(11)18(15,16)7-4-2-1-3-5-7/h1-5,8-12,14H,6H2/t8-,9+,10-,11-,12+,13?/m1/s1
InChIKey VWGDFMYROIWLFN-LZDAWKCSSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEIl72nGM17
Name DL-cis-Inositol, 3,4-anhydro-1,2,5-trideoxy-1,2-[(phenylsulfonyl)imino]-
CAS Registry Number 87160-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c14-8-6-9-12(17-9)11-10(8)13(11)18(15,16)7-4-2-1-3-5-7/h1-5,8-12,14H,6H2/t8-,9+,10-,11-,12+,13?/m1/s1
InChIKey VWGDFMYROIWLFN-LZDAWKCSSA-N
Molecular Weight 267.299 g/mol
SMILES O[C@]1([C@]2(N([C@]2([C@]2(O[C@@]2([H])C1)[H])[H])S(=O)(=O)c1ccccc1)[H])[H]
SPLASH splash10-003r-9500000000-e1d32d35703ba341c7ee
Source of Spectrum K-116-2509-0
Synonyms (1R,2R,4S,6R,7S)-8-(phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]octan-6-ol 3-Oxa-8-azatricyclo[5.1.0.0(2,4)]octane, DL-cis-inositol deriv. DL-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.alpha.)-3-(phenylsulfonyl)-8-oxa-3-azatricyclo[5.1.0.0(2,4)]octan-5-ol
Wiley ID 1270991