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1-[4-(dimethylamino)phenyl]-1H-pyrrole-2-carbaldehyde N-phenylthiosemicarbazone

View entire compound with spectra: 2 NMR

1-[4-(dimethylamino)phenyl]-1H-pyrrole-2-carbaldehyde N-phenylthiosemicarbazone
SpectraBase Compound ID Iyb6vmYToR
InChI InChI=1S/C20H21N5S/c1-24(2)17-10-12-18(13-11-17)25-14-6-9-19(25)15-21-23-20(26)22-16-7-4-3-5-8-16/h3-15H,1-2H3,(H2,22,23,26)/b21-15+
InChIKey LPOAFDBZDOMCIL-RCCKNPSSSA-N
Mol Weight 363.48 g/mol
Molecular Formula C20H21N5S
Exact Mass 363.151767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1X6BuzCqBu4
Name 1-[4-(Dimethylamino)phenyl]-1H-pyrrole-2-carbaldehyde N-phenylthiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 363.151766870 u
Formula C20H21N5S
InChI InChI=1S/C20H21N5S/c1-24(2)17-10-12-18(13-11-17)25-14-6-9-19(25)15-21-23-20(26)22-16-7-4-3-5-8-16/h3-15H,1-2H3,(H2,22,23,26)/b21-15+
InChIKey LPOAFDBZDOMCIL-RCCKNPSSSA-N
SMILES N(C(N\N=C\C=1N(C2=CC=C(N(C)C)C=C2)C=CC1)=S)C1=CC=CC=C1