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3-(2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-sulfonyl)-propionitrile

View entire compound with spectra: 1 MS (GC)

3-(2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-sulfonyl)-propionitrile
SpectraBase Compound ID GDsoLYUJ0A3
InChI InChI=1S/C11H9N3O4S/c12-4-1-5-19(17,18)7-2-3-8-9(6-7)14-11(16)10(15)13-8/h2-3,6H,1,5H2,(H,13,15)(H,14,16)
InChIKey HFBZWXHTBZJBRO-UHFFFAOYSA-N
Mol Weight 279.27 g/mol
Molecular Formula C11H9N3O4S
Exact Mass 279.031377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31RzjsPeDRy
Name 3-(2,3-Dioxo-1,2,3,4-tetrahydro-quinoxaline-6-sulfonyl)-propionitrile
Alternate Name(s) 3-[(2,3-diketo-1,4-dihydroquinoxalin-6-yl)sulfonyl]propionitrile 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]propanenitrile 3-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonyl]propanenitrile
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Formula C11H9N3O4S
InChI InChI=1S/C11H9N3O4S/c12-4-1-5-19(17,18)7-2-3-8-9(6-7)14-11(16)10(15)13-8/h2-3,6H,1,5H2,(H,13,15)(H,14,16)
InChIKey HFBZWXHTBZJBRO-UHFFFAOYSA-N
Molecular Weight 279.270 g/mol
SMILES N1C(C(Nc2ccc(S(=O)(=O)CCC#N)cc12)=O)=O
SPLASH splash10-0ufr-9510000000-ed197df6572eaa5a3527
Wiley ID 1466504