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DL-cis-Inositol, 3,4-anhydro-1,2,5-trideoxo-1,2-[(phenylsulfonyl)imino]-, 6-acetate
SpectraBase Compound ID BgOgyqlYCuV
InChI InChI=1S/C14H15NO5S/c1-8(16)19-10-7-11-14(20-11)13-12(10)15(13)21(17,18)9-5-3-2-4-6-9/h2-6,10-14H,7H2,1H3
InChIKey BRKKLAGAGREAGS-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C14H15NO5S
Exact Mass 309.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9c4CM8N3yyo
Name DL-cis-Inositol, 3,4-anhydro-1,2,5-trideoxo-1,2-[(phenylsulfonyl)imino]-, 6-acetate
CAS Registry Number 87160-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO5S
InChI InChI=1S/C14H15NO5S/c1-8(16)19-10-7-11-14(20-11)13-12(10)15(13)21(17,18)9-5-3-2-4-6-9/h2-6,10-14H,7H2,1H3
InChIKey BRKKLAGAGREAGS-UHFFFAOYSA-N
Molecular Weight 309.336 g/mol
SMILES C12N(C1C(CC1OC21)OC(=O)C)S(=O)(=O)c1ccccc1
SPLASH splash10-002f-7900000000-d493576a2372eb7bf940
Source of Spectrum K-116-2509-0
Synonyms 3-Oxa-8-azatricyclo[5.1.0.0(2,4)]octane, DL-cis-inositol deriv. 8-(Phenylsulfonyl)-3-oxa-8-azatricyclo[5.1.0.0(2,4)]oct-6-yl acetate Acetate of 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 1310501