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(S)-7-Iodo-1,2,3,11a-tetrahydro-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione
SpectraBase Compound ID CFbbxEumQvu
InChI InChI=1S/C12H11IN2O2/c13-7-3-4-9-8(6-7)12(17)15-5-1-2-10(15)11(16)14-9/h3-4,6,10H,1-2,5H2,(H,14,16)/t10-/m0/s1
InChIKey PFVBOGAGNIBSSA-JTQLQIEISA-N
Mol Weight 342.14 g/mol
Molecular Formula C12H11IN2O2
Exact Mass 341.986523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gxOAYu3CQT
Name (S)-7-Iodo-1,2,3,11a-tetrahydro-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione
Alternate Name(s) (11aS)-7-iodo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione 7-Iodo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]-{1,4]benzodiazepine-5,11-dione
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Formula C12H11IN2O2
InChI InChI=1S/C12H11IN2O2/c13-7-3-4-9-8(6-7)12(17)15-5-1-2-10(15)11(16)14-9/h3-4,6,10H,1-2,5H2,(H,14,16)/t10-/m0/s1
InChIKey PFVBOGAGNIBSSA-JTQLQIEISA-N
Molecular Weight 342.136 g/mol
SMILES N1C([C@]2(N(C(c3c1ccc(c3)I)=O)CCC2)[H])=O
SPLASH splash10-000g-2069000000-d44e9bcb58421838b262
Source of Spectrum B-51-1127-20
Wiley ID 746058