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(5R,8S,10S,11R)-5,8-Dihydro-10,11-bis(acetyloxy)-2-phenyl-5,8-ethano-1H-[1,2,4]-triazolo[1,2-a]pyridazine-1,3(2H)-dione
SpectraBase Compound ID KQjSyiAVMZR
InChI InChI=1S/C18H17N3O6/c1-10(22)26-15-13-8-9-14(16(15)27-11(2)23)21-18(25)19(17(24)20(13)21)12-6-4-3-5-7-12/h3-9,13-16H,1-2H3/t13-,14+,15-,16+
InChIKey PQBZGSFLMCRKDG-GEEKYZPCSA-N
Mol Weight 371.35 g/mol
Molecular Formula C18H17N3O6
Exact Mass 371.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nuombhI5sb
Name (5R,8S,10S,11R)-5,8-Dihydro-10,11-bis(acetyloxy)-2-phenyl-5,8-ethano-1H-[1,2,4]-triazolo[1,2-a]pyridazine-1,3(2H)-dione
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Formula C18H17N3O6
InChI InChI=1S/C18H17N3O6/c1-10(22)26-15-13-8-9-14(16(15)27-11(2)23)21-18(25)19(17(24)20(13)21)12-6-4-3-5-7-12/h3-9,13-16H,1-2H3/t13-,14+,15-,16+
InChIKey PQBZGSFLMCRKDG-GEEKYZPCSA-N
Molecular Weight 371.349 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@@]1(C=C[C@@]2([H])[C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])=O
SPLASH splash10-004l-8190000000-74790622480bd87918d3
Source of Spectrum F5-4-3846-41
Synonyms (5R,8S,10S,11R)-1,3-dioxo-2-phenyl-2,3,5,8-tetrahydro-1H-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-10,11-diyl diacetate
Wiley ID 1733035