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2-amino-4-(3-pyridyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

2-amino-4-(3-pyridyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 6qzyoDugVJA
InChI InChI=1S/C16H16N4/c17-9-13-15(11-5-4-8-19-10-11)12-6-2-1-3-7-14(12)20-16(13)18/h4-5,8,10H,1-3,6-7H2,(H2,18,20)
InChIKey USWMXSGNHGQXOQ-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C16H16N4
Exact Mass 264.137497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUnzBqrfMAv
Name 2-Amino-4-(3-pyridyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]pyridine-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.137496531 u
Formula C16H16N4
InChI InChI=1S/C16H16N4/c17-9-13-15(11-5-4-8-19-10-11)12-6-2-1-3-7-14(12)20-16(13)18/h4-5,8,10H,1-3,6-7H2,(H2,18,20)
InChIKey USWMXSGNHGQXOQ-UHFFFAOYSA-N
Molecular Weight 264.332 g/mol
SMILES NC1=C(C(=C2CCCCCC2=N1)C=1C=NC=CC1)C#N