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N-acetylsulfanilic acid, 2-[4,6-bis(diethylamino)-s-triazin-2-yl]hydrazide
SpectraBase Compound ID AFt1bDd0Y1Q
InChI InChI=1S/C19H30N8O3S/c1-6-26(7-2)18-21-17(22-19(23-18)27(8-3)9-4)24-25-31(29,30)16-12-10-15(11-13-16)20-14(5)28/h10-13,25H,6-9H2,1-5H3,(H,20,28)(H,21,22,23,24)
InChIKey NOPSBMXBUVPVNY-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C19H30N8O3S
Exact Mass 450.216158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7kVIa0RlPvZ
Name N-Acetylsulfanilic acid, 2-[4,6-bis(diethylamino)-S-triazin-2-yl]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 450.216158029 u
Formula C19H30N8O3S
InChI InChI=1S/C19H30N8O3S/c1-6-26(7-2)18-21-17(22-19(23-18)27(8-3)9-4)24-25-31(29,30)16-12-10-15(11-13-16)20-14(5)28/h10-13,25H,6-9H2,1-5H3,(H,20,28)(H,21,22,23,24)
InChIKey NOPSBMXBUVPVNY-UHFFFAOYSA-N
Molecular Weight 450.562 g/mol
SMILES N(C1=NC(=NC(=N1)N(CC)CC)N(CC)CC)NS(C=1C=CC(=CC1)NC(C)=O)(=O)=O