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Acetic acid, [[4-[(carboxymethyl)amino]-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-
SpectraBase Compound ID EkA34Vi9r1X
InChI InChI=1S/C11H18N6O4/c1-3-17(4-2)11-15-9(12-5-7(18)19)14-10(16-11)13-6-8(20)21/h3-6H2,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,16)
InChIKey IAQJLBBRUCDQMZ-UHFFFAOYSA-N
Mol Weight 298.3 g/mol
Molecular Formula C11H18N6O4
Exact Mass 298.138953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LU3xE124Sce
Name Acetic acid, [[4-[(carboxymethyl)amino]-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-
Comments Computed using HOSE algorithm
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Exact Mass 298.138953080 u
Formula C11H18N6O4
InChI InChI=1S/C11H18N6O4/c1-3-17(4-2)11-15-9(12-5-7(18)19)14-10(16-11)13-6-8(20)21/h3-6H2,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,16)
InChIKey IAQJLBBRUCDQMZ-UHFFFAOYSA-N
SMILES N(C1=NC(=NC(=N1)N(CC)CC)NCC(=O)O)CC(=O)O