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(3aS,3bS)-10-Chloro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c][1,2,3]triazolo[1,5-a][1,4]benzodiazepin-8-one
SpectraBase Compound ID 8safgxk8NAt
InChI InChI=1S/C13H13ClN4O/c14-8-3-4-10-9(6-8)13(19)17-5-1-2-11(17)12-7-15-16-18(10)12/h3-4,6,11-12H,1-2,5,7H2/t11-,12-/m0/s1
InChIKey IMZJRASXWYQGGP-RYUDHWBXSA-N
Mol Weight 276.73 g/mol
Molecular Formula C13H13ClN4O
Exact Mass 276.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUQ1fq7zfC
Name (3aS,3bS)-10-Chloro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c][1,2,3]triazolo[1,5-a][1,4]benzodiazepin-8-one
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Formula C13H13ClN4O
InChI InChI=1S/C13H13ClN4O/c14-8-3-4-10-9(6-8)13(19)17-5-1-2-11(17)12-7-15-16-18(10)12/h3-4,6,11-12H,1-2,5,7H2/t11-,12-/m0/s1
InChIKey IMZJRASXWYQGGP-RYUDHWBXSA-N
Molecular Weight 276.727 g/mol
SMILES [C@@]12(N(c3c(C(N4[C@]2(CCC4)[H])=O)cc(cc3)Cl)N=NC1)[H]
SPLASH splash10-0udi-1940000000-760124e898269e103062
Source of Spectrum F4-0-2250-7
Synonyms (3aS,3bS)-10-chloro-3,3a,3b,4,5,6-hexahydro-8H-pyrrolo[2,1-c][1,2,3]triazolo[1,5-a][1,4]benzodiazepin-8-one
Wiley ID 1618489