4-METHOXYPHENYLTHIOUREA(2293-07-4) MS

Product Name4-METHOXYPHENYLTHIOUREA

CAS 2293-07-4

Molecular FormulaC8H10N2OS

Molecular Weight182.24

InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)

InChIKey SRYLJBWDZZMDSK-UHFFFAOYSA-N

SmilesN(C1=CC=C(OC)C=C1)C(N)=S

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Mass

MS-NW-7434          
1-(p-methoxyphenyl)thiourea
C8H10N2OS           (Mass of molecular ion:    182)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       2.1
      18.0       2.3
      26.0       1.8
      27.0       2.9
      28.0       5.6
      32.0       2.1
      33.0       1.0
      34.0       1.4
      37.0       1.8
      38.0       3.8
      39.0       7.5
      40.0       1.0
      41.0       5.3
      43.0       4.4
      45.0       1.7
      50.0       5.0
      51.0       6.7
      52.0      12.4
      53.0      12.0
      54.0       2.7
      59.0       2.7
      60.0      18.2
      61.0       1.9
      62.0       3.4
      63.0       9.8
      64.0       8.2
      65.0       6.7
      66.0       1.3
      67.0       1.2
      69.0       1.1
      70.0       1.3
      74.0       1.9
      75.0       1.6
      76.0       1.9
      77.0       9.5
      78.0       4.6
      79.0       4.1
      80.0      21.3
      81.0       2.8
      90.0       2.6
      91.0       2.0
      92.0       6.7
      93.0       1.1
      95.0       6.3
      96.0       2.7
      97.0       1.5
     105.0       3.6
     106.0       1.4
     107.0       4.0
     108.0     100.0
     109.0       8.0
     110.0       1.0
     122.0      13.0
     123.0      33.7
     124.0       3.3
     125.0       4.5
     133.0       8.3
     134.0       4.1
     138.0       1.2
     139.0       1.4
     140.0      43.5
     141.0       4.0
     142.0       2.6
     148.0       6.5
     149.0      24.5
     150.0      14.1
     151.0       1.6
     165.0      16.4
     166.0       4.5
     167.0       2.0
     181.0       1.3
     182.0      62.5
     183.0       7.8
     184.0       3.5

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₈ H₁₀ N₂ O S	0.036 g : 0.5 ml DMSO-d₆
1-(p-methoxyphenyl)thiourea

    Assign.     Shift(ppm)

      A     *1      9.47
      B     *1      7.2
      C             7.24
      D             6.908
      E             3.734

     Hz     ppm     Int.

    848.73   9.477    141
    848.22   9.471    140
    652.88   7.290    173
    650.61   7.265    109
    643.80   7.189    238
    625.05   6.980     42
    621.97   6.945    249
    619.56   6.918     71
    617.58   6.896     26
    617.14   6.891     26
    615.23   6.870     59
    612.82   6.843    139
    334.50   3.735   1000

DMSO-d6