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(3aS,3bS)-2-Carbomethoxy-10-fluoro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c]pyrazolo[1,5-a][1,4]benzodiazepin-8-one
SpectraBase Compound ID Ln22fYl9EaC
InChI InChI=1S/C16H16FN3O3/c1-23-16(22)11-8-14-13-3-2-6-19(13)15(21)10-7-9(17)4-5-12(10)20(14)18-11/h4-5,7,13-14H,2-3,6,8H2,1H3/t13-,14-/m0/s1
InChIKey ADJKJZDXSNRTCJ-KBPBESRZSA-N
Mol Weight 317.32 g/mol
Molecular Formula C16H16FN3O3
Exact Mass 317.11757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p24dZILzc
Name (3aS,3bS)-2-Carbomethoxy-10-fluoro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c]pyrazolo[1,5-a][1,4]benzodiazepin-8-one
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Formula C16H16FN3O3
InChI InChI=1S/C16H16FN3O3/c1-23-16(22)11-8-14-13-3-2-6-19(13)15(21)10-7-9(17)4-5-12(10)20(14)18-11/h4-5,7,13-14H,2-3,6,8H2,1H3/t13-,14-/m0/s1
InChIKey ADJKJZDXSNRTCJ-KBPBESRZSA-N
Molecular Weight 317.320 g/mol
SMILES C1(=NN2[C@@](C1)([C@]1(N(CCC1)C(c1c2ccc(F)c1)=O)[H])[H])C(=O)OC
SPLASH splash10-02ga-5974000000-8b32bc9fd9386fc17653
Source of Spectrum F4-0-2251-8
Synonyms (3aS,3bS)-2-Carbomethoxy-10-fluoro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c][1,2,3]triazolo[1,5-a][1,4]benzodiazepin-8-one Methyl (3aS,3bS)-10-fluoro-8-oxo-3,3a,3b,4,5,6-hexahydro-8H-pyrazolo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-2-carboxylate
Wiley ID 1618485