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3-Iodo-5,6,7,8,9,10-hexahydrocyclohepta[4,5]pyrrolo[2,3-b]pyridine
SpectraBase Compound ID EJfYjjOBF3R
InChI InChI=1S/C12H13IN2/c13-8-6-10-9-4-2-1-3-5-11(9)15-12(10)14-7-8/h6-7H,1-5H2,(H,14,15)
InChIKey KDWBVQMGNLSZRR-UHFFFAOYSA-N
Mol Weight 312.15 g/mol
Molecular Formula C12H13IN2
Exact Mass 312.012343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HfnUjpC5cb
Name 3-Iodo-5,6,7,8,9,10-hexahydrocyclohepta[4,5]pyrrolo[2,3-b]pyridine
Appearance Gravel powder
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Formula C12H13IN2
InChI InChI=1S/C12H13IN2/c13-8-6-10-9-4-2-1-3-5-11(9)15-12(10)14-7-8/h6-7H,1-5H2,(H,14,15)
InChIKey KDWBVQMGNLSZRR-UHFFFAOYSA-N
Instrument Name Finnigan MAT ITD-700
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2865
Molecular Weight 312.154 g/mol
SMILES [nH]1c2c(c3c1ncc(c3)I)CCCCC2
SPLASH splash10-03di-0469000000-bdaabaee26ed98e7d369
Source of Spectrum Y-54-2661-4d
Wiley ID 1878497