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2-amino-4-(2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 7bnZiZUul9o
InChI InChI=1S/C15H15N3O/c16-9-11-14(13-7-4-8-19-13)10-5-2-1-3-6-12(10)18-15(11)17/h4,7-8H,1-3,5-6H2,(H2,17,18)
InChIKey UUSRACGROVEGPY-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C15H15N3O
Exact Mass 253.121512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJ3fRqHramC
Name 2-Amino-4-(2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]pyridine-3-carbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 253.121512114 u
Formula C15H15N3O
InChI InChI=1S/C15H15N3O/c16-9-11-14(13-7-4-8-19-13)10-5-2-1-3-6-12(10)18-15(11)17/h4,7-8H,1-3,5-6H2,(H2,17,18)
InChIKey UUSRACGROVEGPY-UHFFFAOYSA-N
Molecular Weight 253.305 g/mol
SMILES NC1=C(C(=C2CCCCCC2=N1)C1=CC=CO1)C#N