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(1R,5R)-N-(2-(diethylamino)ethyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

View entire compound with spectra: 2 NMR

(1R,5R)-N-(2-(diethylamino)ethyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide
SpectraBase Compound ID AbcewTvamgA
InChI InChI=1S/C18H28N4OS/c1-3-20(4-2)9-8-19-18(24)21-11-14-10-15(13-21)16-6-5-7-17(23)22(16)12-14/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,19,24)
InChIKey ZFRWBAPZYHMBKF-UHFFFAOYSA-N
Mol Weight 348.51 g/mol
Molecular Formula C18H28N4OS
Exact Mass 348.198383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZ7be5WW764
Name (1R,5R)-N-(2-(Diethylamino)ethyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-A][1,5]diazocine-3(2H)-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.198382711 u
Formula C18H28N4OS
InChI InChI=1S/C18H28N4OS/c1-3-20(4-2)9-8-19-18(24)21-11-14-10-15(13-21)16-6-5-7-17(23)22(16)12-14/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,19,24)
InChIKey ZFRWBAPZYHMBKF-UHFFFAOYSA-N
Molecular Weight 348.509 g/mol
SMILES N(C(N1CC2CN3C(C(C1)C2)=CC=CC3=O)=S)CCN(CC)CC