1-METHYLADENINE(5142-22-3) 13C NMR
Product Name1-METHYLADENINE
CAS5142-22-3
Molecular FormulaC6H7N5
Molecular Weight149.15
InChIInChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
InChIKey HPZMWTNATZPBIH-UHFFFAOYSA-N
SmilesN1C2C(N=CN(C)C=2N)=NC=1
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Assign. Shift(ppm)
A 8.091 B 7.829 C 3.691 H2O SIGNAL REMOVEDSpectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
154.89 300 1 150.85 880 2 150.02 640 3 144.86 620 4 118.54 560 5 38.15 1000 6Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
