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57-13-6

尿素(57-13-6)Raman光谱

产品名称:尿素

CAS:57-13-6

分子式:CH4N2O

分子量: 60.06

InChI:InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

InChIKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N

Smiles:NC(N)=O

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    Mass

    MS2014-05099CW      
    urea
    CH4N2O              (Mass of molecular ion:     60)
    

       Source Temperature: 240 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          15.0       2.0
          16.0      21.1
          17.0      75.6
          18.0      24.4
          27.0       3.3
          28.0       8.7
          29.0       8.7
          30.0       2.2
          31.0       5.7
          41.0       4.2
          42.0      14.3
          43.0      62.0
          44.0      98.0
          45.0       3.1
          60.0     100.0
          61.0      15.0
    

parameter in acetone+DMSO+tetramethylurea

in DMSO-d6

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    1H NMR 300 MHz
    C H4 N2 O in acetone+DMSO+tetramethylurea
    urea
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.6 STILBS,P. & FORSEN,S. ORG.MAGN.RESON. 8, 384 (1976) J(1)(A,N-15):86.8HZ. J(3)(A,N-15):1.7HZ. J(4)(A,A):1.0HZ. J(2)(N-15,N-15):5.1HZ.

         Hz     ppm     Int.
    

       1680.00   5.600   1000
    

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in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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