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1-Piperidinecarbothioamide, N-[A-(2-methoxy-2-oxo-ethylamino)benzylidene]-
SpectraBase Compound ID 9fOap8rzW3v
InChI InChI=1S/C16H21N3O2S/c1-21-14(20)12-17-15(13-8-4-2-5-9-13)18-16(22)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,18,22)
InChIKey YAMMMVWKEWSGGH-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H21N3O2S
Exact Mass 319.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6RYcNzwnRt
Name 1-Piperidinecarbothioamide, N-[A-(2-methoxy-2-oxo-ethylamino)benzylidene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.135448100 u
Formula C16H21N3O2S
InChI InChI=1S/C16H21N3O2S/c1-21-14(20)12-17-15(13-8-4-2-5-9-13)18-16(22)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,17,18,22)
InChIKey YAMMMVWKEWSGGH-UHFFFAOYSA-N
Molecular Weight 319.423 g/mol
SMILES C(\N=C\(NCC(OC)=O)C1=CC=CC=C1)(=S)N1CCCCC1