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5142-22-3

1-甲基腺嘌呤(5142-22-3)核磁图(1HNMR)

产品名称:1-甲基腺嘌呤

CAS:5142-22-3

分子式:C6H7N5

分子量: 149.15

InChI:InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3

InChIKey: HPZMWTNATZPBIH-UHFFFAOYSA-N

Smiles:N1C2C(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 REMOVED
    Spectral 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 6
    Spectral 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

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