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3-[[(4-methylphenyl)sulfonyl]azo]cyclohex-2-en-1-one
SpectraBase Compound ID H4eQ92RLJYn
InChI InChI=1S/C13H14N2O3S/c1-10-5-7-13(8-6-10)19(17,18)15-14-11-3-2-4-12(16)9-11/h5-9H,2-4H2,1H3/b15-14+
InChIKey RJKSUNQIUNBAIU-CCEZHUSRSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFWh2yP8U1I
Name 3-[[(4-methylphenyl)sulfonyl]azo]cyclohex-2-en-1-one
Alternate Name(s) 3-{(E)-[(4-methylphenyl)sulfonyl]diazenyl}-2-cyclohexen-1-one
CAS Registry Number 102940-20-5
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-10-5-7-13(8-6-10)19(17,18)15-14-11-3-2-4-12(16)9-11/h5-9H,2-4H2,1H3/b15-14+
InChIKey RJKSUNQIUNBAIU-CCEZHUSRSA-N
Molecular Weight 278.326 g/mol
SMILES C1(\N=N\S(c2ccc(cc2)C)(=O)=O)=CC(=O)CCC1
SPLASH splash10-0006-9010000000-47c240cc5d465e718566
Source of Spectrum J-51-3215-6
Wiley ID 1281645