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(3aS,3bS)-2-Carbomethoxy-fluoro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c]pyrazolo[1,5-a][1,4]benzodiazepin-8-one
SpectraBase Compound ID DPHekAm39PG
InChI InChI=1S/C16H17N3O3/c1-22-16(21)11-9-14-13-7-4-8-18(13)15(20)10-5-2-3-6-12(10)19(14)17-11/h2-3,5-6,13-14H,4,7-9H2,1H3/t13-,14-/m0/s1
InChIKey VTPLZYMMYGMGNB-KBPBESRZSA-N
Mol Weight 299.33 g/mol
Molecular Formula C16H17N3O3
Exact Mass 299.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEaQekLNESN
Name (3aS,3bS)-2-Carbomethoxy-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 C16H17N3O3
InChI InChI=1S/C16H17N3O3/c1-22-16(21)11-9-14-13-7-4-8-18(13)15(20)10-5-2-3-6-12(10)19(14)17-11/h2-3,5-6,13-14H,4,7-9H2,1H3/t13-,14-/m0/s1
InChIKey VTPLZYMMYGMGNB-KBPBESRZSA-N
Molecular Weight 299.330 g/mol
SMILES C1(=NN2[C@@](C1)([C@]1(N(CCC1)C(c1c2cccc1)=O)[H])[H])C(=O)OC
SPLASH splash10-00dj-3970000000-8ff6a74cc07bf7b1bf19
Source of Spectrum F4-0-2251-8
Synonyms (3aS,3bS)-2-Carbomethoxy-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)-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 1618487