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dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.beta.,8.alpha.)-9-(4-methylphenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane

View entire compound with spectra: 1 MS (GC)

dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.beta.,8.alpha.)-9-(4-methylphenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
SpectraBase Compound ID Cr9mORfq0zQ
InChI InChI=1S/C13H13NO4S/c1-6-2-4-7(5-3-6)19(15,16)14-8-9(14)11-13(18-11)12-10(8)17-12/h2-5,8-13H,1H3/t8-,9-,10-,11+,12-,13+,14?/m1/s1
InChIKey YLUUNBONIVHAPA-UEMJWNFBSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oQEcNLlEbi
Name dl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.beta.,8.alpha.)-9-(4-methylphenylsulfonyl)-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
CAS Registry Number 112419-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-6-2-4-7(5-3-6)19(15,16)14-8-9(14)11-13(18-11)12-10(8)17-12/h2-5,8-13H,1H3/t8-,9-,10-,11+,12-,13+,14?/m1/s1
InChIKey YLUUNBONIVHAPA-UEMJWNFBSA-N
Molecular Weight 279.310 g/mol
SMILES [C@]12(N([C@]1([C@]1([C@@]([C@]3([C@@]2(O3)[H])[H])(O1)[H])[H])[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-006x-9700000000-e02f3808c113d8c06d84
Source of Spectrum K-121-773-6
Synonyms (1R,2R,4R,5S,7S,8R)-9-[(4-methylphenyl)sulfonyl]-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
Wiley ID 1282790