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2,4-Diamino-6-heptadecylpteridine

View entire compound with spectra: 1 NMR

2,4-Diamino-6-heptadecylpteridine
SpectraBase Compound ID 5r4S7EV4t1U
InChI InChI=1S/C23H40N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-26-22-20(27-19)21(24)28-23(25)29-22/h18H,2-17H2,1H3,(H4,24,25,26,28,29)
InChIKey UUTAJKNYYVVZTK-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C23H40N6
Exact Mass 400.331445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT5iuob6vPg
Name 2,4-Diamino-6-heptadecylpteridine
Comments Computed using HOSE algorithm
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Exact Mass 400.331445312 u
Formula C23H40N6
InChI InChI=1S/C23H40N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-26-22-20(27-19)21(24)28-23(25)29-22/h18H,2-17H2,1H3,(H4,24,25,26,28,29)
InChIKey UUTAJKNYYVVZTK-UHFFFAOYSA-N
Molecular Weight 400.615 g/mol
SMILES C1=2C(=C(N=C(N2)N)N)N=C(C=N1)CCCCCCCCCCCCCCCCC