1,1-diphenylurea(603-54-3) MS

Product Name1,1-diphenylurea

CAS 603-54-3

Molecular FormulaC13H12N2O

Molecular Weight212.25

InChIInChI=1S/C13H12N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)

InChIKey XKAFKUGMXFMRCC-UHFFFAOYSA-N

SmilesN(C1=CC=CC=C1)(C1=CC=CC=C1)C(N)=O

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IR1

IR2

Mass

MS-NW-8141          
N,N-diphenylurea
C13H12N2O           (Mass of molecular ion:    212)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      39.0       3.5
      43.0       3.4
      44.0       1.8
      50.0       1.4
      51.0       9.3
      52.0       1.1
      63.0       1.5
      64.0       1.3
      65.0       5.4
      66.0      11.9
      77.0      11.5
      78.0       1.6
      83.5       3.0
      91.0       1.2
      92.0       1.2
     104.0       2.8
     115.0       2.7
     119.0       1.3
     128.0       1.0
     139.0       1.9
     140.0       1.6
     141.0       3.0
     142.0       2.0
     143.0       1.0
     154.0       1.1
     166.0       4.0
     167.0      24.5
     168.0      47.8
     169.0     100.0
     170.0      13.1
     212.0      37.2
     213.0       5.6

KBr disc

nujol mull

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