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5,8-Etheno-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-phenyl-
SpectraBase Compound ID FD8WQieFsqD
InChI InChI=1S/C16H13N3O2/c20-15-17(10-4-2-1-3-5-10)16(21)19-14-9-8-13(18(15)19)11-6-7-12(11)14/h1-9,11-14H/t11-,12+,13-,14+
InChIKey YDNMGENVHPNQIA-KPWCQOOUSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFi9jrTbVyQ
Name 5,8-Etheno-1H-cyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-phenyl-
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Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c20-15-17(10-4-2-1-3-5-10)16(21)19-14-9-8-13(18(15)19)11-6-7-12(11)14/h1-9,11-14H/t11-,12+,13-,14+
InChIKey YDNMGENVHPNQIA-KPWCQOOUSA-N
Molecular Weight 279.299 g/mol
SMILES c1(ccccc1)N1C(N2[C@@]3(C=C[C@](N2C1=O)([C@@]1([C@]3(C=C1)[H])[H])[H])[H])=O
SPLASH splash10-0fvi-9830000000-f9cf94ff7e18654da14f
Source of Spectrum JX-2015-2-896
Synonyms (5R,5aR,7aS,8S)-2-phenyl-5,5a,7a,8-tetrahydro-1H-5,8-ethenocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione 2-Phenyl-5,5a,7a,8-tetrahydro-1H-5,8-ethenocyclobuta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Wiley ID 1722586