91-97-4

3,3'-Dimethyl-4,4'-biphenylene diisocyanate(91-97-4) ¹H NMR

Product Name3,3'-Dimethyl-4,4'-biphenylene diisocyanate

CAS 91-97-4

Molecular FormulaC16H12N2O2

Molecular Weight264.28

InChIInChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3

InChIKey ICLCCFKUSALICQ-UHFFFAOYSA-N

SmilesC1(C2=CC=C(N=C=O)C(C)=C2)=CC=C(N=C=O)C(C)=C1

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¹HNMR

IR1

IR2

3,3'-Dimethyl-4,4'-biphenylene diisocyanate(91-97-4) <sup>1</sup>H NMR
Mass

MS-IW-2137          
3,3'-dimethyl-4,4'-biphenylylene diisocyanate
C16H12N2O2          (Mass of molecular ion:    264)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.2
      51.0       1.7
      63.0       1.6
      75.0       1.1
      76.0       2.7
      77.0       2.2
      82.5       1.0
      89.0       1.2
      90.0       2.2
      90.5       1.2
      96.5       1.2
     103.0       2.5
     103.5       1.1
     104.0       1.3
     115.0       1.0
     117.0       1.1
     132.0       4.8
     139.0       1.0
     140.0       1.6
     151.0       1.4
     152.0       1.9
     153.0       1.2
     165.0       2.4
     166.0       2.0
     177.0       1.1
     178.0       2.0
     179.0       1.6
     180.0       1.5
     192.0       1.4
     193.0       1.6
     194.0       3.3
     206.0       2.0
     207.0       2.2
     209.0       2.1
     220.0       1.0
     221.0       5.1
     222.0       3.5
     235.0      11.6
     236.0       5.1
     263.0       2.5
     264.0     100.0
     265.0      18.4
     266.0       2.0