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

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-9-(4-methylphenylsulfonyl)-3,6-dioxa-9-aza-tetracyclo[6.1.0.0(2,4).0(5,7)]nonane
SpectraBase Compound ID 4sJvrecEzOf
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+/m1/s1
InChIKey YLUUNBONIVHAPA-NLMKBYRWSA-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 6xoDScWcYS
Name (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-9-(4-methylphenylsulfonyl)-3,6-dioxa-9-aza-tetracyclo[6.1.0.0(2,4).0(5,7)]nonane
CAS Registry Number 76670-70-7
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+/m1/s1
InChIKey YLUUNBONIVHAPA-NLMKBYRWSA-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 splash10-0596-6910000000-5b6003701c6c0c8cb739
Source of Spectrum K-121-771-1
Synonyms (1R,2S,4S,5S,7S,8R)-9-[(4-methylphenyl)sulfonyl]-3,6-dioxa-9-azatetracyclo[6.1.0.0(2,4).0(5,7)]nonane
Wiley ID 1282789