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1-Chloro-1,4-(4-phenyl-3,5-dioxo-1,2,4-triazolo)cyclohept-2-ene
SpectraBase Compound ID 6jd1uqimiTD
InChI InChI=1S/C15H14ClN3O2/c16-15-9-4-7-12(8-10-15)18-13(20)17(14(21)19(15)18)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2/t12-,15+/m0/s1
InChIKey VPBVUJXRNIXXHO-SWLSCSKDSA-N
Mol Weight 303.75 g/mol
Molecular Formula C15H14ClN3O2
Exact Mass 303.077454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18COpC2Hqbj
Name 1-Chloro-1,4-(4-phenyl-3,5-dioxo-1,2,4-triazolo)cyclohept-2-ene
Alternate Name(s) (1R,7S)-1-Chloro-4-phenyl-2,4,6-triaza-tricyclo[5.3.2.0*2,6*]dodec-11-ene-3,5-dione (1R,7S)-1-chloro-4-phenyl-2,4,6-triazatricyclo[5.3.2.0(2,6)]dodec-11-ene-3,5-dione 1-Chloro-1,4-(4-phenyl-3,5-dioxo-1,2-dihydro-1,2,4-triazolo-1,2-diyl)cyclohept-2-ene
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Formula C15H14ClN3O2
InChI InChI=1S/C15H14ClN3O2/c16-15-9-4-7-12(8-10-15)18-13(20)17(14(21)19(15)18)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2/t12-,15+/m0/s1
InChIKey VPBVUJXRNIXXHO-SWLSCSKDSA-N
Molecular Weight 303.749 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@]1(CCC[C@@]2(C=C1)Cl)[H])=O
SPLASH splash10-03fr-0592000000-bf8bb0cc0c5bf56afa24
Source of Spectrum KC-1993-956-46
Wiley ID 779286