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8-[(p-Methylphenyl)sulfonyl]-6-oxa-8-azabicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID Act6NdadpcI
InChI InChI=1S/C13H13NO4S/c1-9-2-4-10(5-3-9)19(16,17)14-11-8-18-13(14)7-6-12(11)15/h2-7,11,13H,8H2,1H3/t11-,13+/m1/s1
InChIKey WUWMKUZLLXXFEM-YPMHNXCESA-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 6JRltgWwC82
Name 8-[(p-Methylphenyl)sulfonyl]-6-oxa-8-azabicyclo[3.2.1]oct-3-en-2-one
Alternate Name(s) 8-[(4-methylphenyl)sulfonyl]-6-oxa-8-azabicyclo[3.2.1]oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-9-2-4-10(5-3-9)19(16,17)14-11-8-18-13(14)7-6-12(11)15/h2-7,11,13H,8H2,1H3/t11-,13+/m1/s1
InChIKey WUWMKUZLLXXFEM-YPMHNXCESA-N
Molecular Weight 279.310 g/mol
SMILES [C@]12(C(C=C[C@](OC2)(N1S(=O)(=O)c1ccc(cc1)C)[H])=O)[H]
SPLASH splash10-0abd-9200000000-b829fb97fee9b02bcb28
Source of Spectrum K1-2003-1107-3
Wiley ID 1520902