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(S)-8-Iodo-1,2,3,11a-tetrahydro-5H-pyrrolo-(1,4)-[2,1-c]benzodiazepin-5-one
SpectraBase Compound ID IxJQx0Ik6H1
InChI InChI=1S/C12H11IN2O/c13-8-3-4-10-11(6-8)14-7-9-2-1-5-15(9)12(10)16/h3-4,6-7,9H,1-2,5H2/t9-/m0/s1
InChIKey PLWLQKNGUIKTRO-VIFPVBQESA-N
Mol Weight 326.14 g/mol
Molecular Formula C12H11IN2O
Exact Mass 325.991608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfY1nDI77Zl
Name (S)-8-Iodo-1,2,3,11a-tetrahydro-5H-pyrrolo-(1,4)-[2,1-c]benzodiazepin-5-one
Alternate Name(s) (11aS)-8-iodo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one 8-Iodo-1,2,3,11a-tetrahydro-5H-pyrrolo-(1,4)-[2,1-c]benzodiazepin-5-one
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Formula C12H11IN2O
InChI InChI=1S/C12H11IN2O/c13-8-3-4-10-11(6-8)14-7-9-2-1-5-15(9)12(10)16/h3-4,6-7,9H,1-2,5H2/t9-/m0/s1
InChIKey PLWLQKNGUIKTRO-VIFPVBQESA-N
Molecular Weight 326.137 g/mol
SMILES C1(c2c(N=C[C@]3(N1CCC3)[H])cc(cc2)I)=O
SPLASH splash10-0fb9-3079000000-9ea49d40eb188f1f63a7
Source of Spectrum D1-1997-78-5
Wiley ID 834939