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3-(4-Methylphenylsulfonyl)-2-oxa-3-azacyclo[3.3.0]oct-7-ene
SpectraBase Compound ID L8DMU53MoXm
InChI InChI=1S/C13H15NO3S/c1-10-5-7-12(8-6-10)18(15,16)14-9-11-3-2-4-13(11)17-14/h2,4-8,11,13H,3,9H2,1H3
InChIKey APXHBXGNTYIWGZ-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1H8A3DtdCo
Name 3-(4-Methylphenylsulfonyl)-2-oxa-3-azacyclo[3.3.0]oct-7-ene
Alternate Name(s) 2-[(4-methylphenyl)sulfonyl]-3,3a,4,6a-tetrahydro-2H-cyclopenta[d]isoxazole
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Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c1-10-5-7-12(8-6-10)18(15,16)14-9-11-3-2-4-13(11)17-14/h2,4-8,11,13H,3,9H2,1H3
InChIKey APXHBXGNTYIWGZ-UHFFFAOYSA-N
Molecular Weight 265.327 g/mol
SMILES C12ON(S(c3ccc(cc3)C)(=O)=O)CC2CC=C1
SPLASH splash10-0a4i-2930000000-b02a759ef0f7ff8e00e7
Source of Spectrum K-116-1114-0
Wiley ID 1268818