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Quinoline, 7-chloro-4-[2-[[[4-(1-methylethyl)phenyl]amino]carbonothioyl]hydrazino]-
SpectraBase Compound ID ERBOBShtxlm
InChI InChI=1S/C19H19ClN4S/c1-12(2)13-3-6-15(7-4-13)22-19(25)24-23-17-9-10-21-18-11-14(20)5-8-16(17)18/h3-12H,1-2H3,(H,21,23)(H2,22,24,25)
InChIKey BXXRFWSWKDXKJP-UHFFFAOYSA-N
Mol Weight 370.9 g/mol
Molecular Formula C19H19ClN4S
Exact Mass 370.101896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BpSDuU3bR6
Name Quinoline, 7-chloro-4-[2-[[[4-(1-methylethyl)phenyl]amino]carbonothioyl]hydrazino]-
Comments Computed using HOSE algorithm
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Exact Mass 370.101895502 u
Formula C19H19ClN4S
InChI InChI=1S/C19H19ClN4S/c1-12(2)13-3-6-15(7-4-13)22-19(25)24-23-17-9-10-21-18-11-14(20)5-8-16(17)18/h3-12H,1-2H3,(H,21,23)(H2,22,24,25)
InChIKey BXXRFWSWKDXKJP-UHFFFAOYSA-N
Molecular Weight 370.902 g/mol
SMILES C(NNC=1C2=C(C=C(C=C2)Cl)N=CC1)(NC1=CC=C(C=C1)C(C)C)=S