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5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 6-(acetyloxy)-7-bromotetrahydro-2-phenyl-, (5.alpha.,6.beta.,7.alpha.,8.alpha.)-
SpectraBase Compound ID HIOqqOa5r7K
InChI InChI=1S/C15H14BrN3O4/c1-8(20)23-13-11-7-10(12(13)16)18-14(21)17(15(22)19(11)18)9-5-3-2-4-6-9/h2-6,10-13H,7H2,1H3/t10-,11+,12+,13+/m1/s1
InChIKey OVQUYOPRQWQCBB-VOAKCMCISA-N
Mol Weight 380.2 g/mol
Molecular Formula C15H14BrN3O4
Exact Mass 379.016769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8YUk1cxmm8
Name 5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 6-(acetyloxy)-7-bromotetrahydro-2-phenyl-, (5.alpha.,6.beta.,7.alpha.,8.alpha.)-
Alternate Name(s) (1R,7S,8S,9S)-9-bromo-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-yl acetate endo-5-acetoxy-exo-6-bromo-N-phenyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboximide
CAS Registry Number 99565-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14BrN3O4
InChI InChI=1S/C15H14BrN3O4/c1-8(20)23-13-11-7-10(12(13)16)18-14(21)17(15(22)19(11)18)9-5-3-2-4-6-9/h2-6,10-13H,7H2,1H3/t10-,11+,12+,13+/m1/s1
InChIKey OVQUYOPRQWQCBB-VOAKCMCISA-N
Molecular Weight 380.198 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@]1(C[C@]2([H])[C@@]([C@]1(OC(=O)C)[H])(Br)[H])[H])=O
SPLASH splash10-00kf-9503000000-a1cee7fd2918de61d97c
Source of Spectrum K-118-5022-6
Wiley ID 1359167