91165-64-9

1,1'-(Naphthalene-1,8-diyl)bis[1H-1,2,3-triazole-4,5-dicarboxylic acid di(1,1-dimethylethyl)] ester(91165-64-9) MS

Product Name1,1'-(Naphthalene-1,8-diyl)bis[1H-1,2,3-triazole-4,5-dicarboxylic acid di(1,1-dimethylethyl)] ester

Molecular Formula

Molecular Weight

InChIInChI=1S/C26H26N6O8/c1-25(2,3)39-23(37)18-20(24(38)40-26(4,5)6)32(30-28-18)15-12-8-10-13-9-7-11-14(16(13)15)31-19(22(35)36)17(21(33)34)27-29-31/h7-12H,1-6H3,(H,33,34)(H,35,36)

InChIKey UCJRKNVTJTWPTM-UHFFFAOYSA-N

SmilesC1(N2C(C(OC(C)(C)C)=O)=C(C(OC(C)(C)C)=O)N=N2)=C2C(C=CC=C2N2C(C(O)=O)=C(C(O)=O)N=N2)=CC=C1

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IR1

1,1'-(Naphthalene-1,8-diyl)bis[1H-1,2,3-triazole-4,5-dicarboxylic acid di(1,1-dimethylethyl)] ester(91165-64-9) MS
Mass

MS-NW-7321          
1,1'-(1,8-naphthylene)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid) tetra-tert-butyl ester
C34H42N6O8          (Mass of molecular ion:    662)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      16.0       1.5
      18.0       1.6
      26.0       2.8
      27.0      11.6
      28.0      14.0
      29.0       9.2
      37.0       3.1
      38.0       5.3
      39.0      38.4
      40.0       9.0
      41.0     100.0
      42.0       3.6
      44.0      70.4
      49.0       2.1
      50.0       6.5
      51.0       5.5
      52.0       1.4
      53.0       5.8
      54.0       2.4
      55.0      19.7
      56.0      49.2
      57.0      16.0
      63.0       2.1
      69.5       1.8
      74.0       1.1
      75.0       1.6
      76.0       1.7
      77.0       1.0
      87.0       1.0
      89.0       1.3
     113.0       1.4
     125.0       1.1
     126.0       1.7
     127.0       2.8
     138.0       1.2
     139.0       3.9
     140.0       3.2
     151.0       1.6
     152.0       3.7
     153.0       3.7
     164.0       2.1
     165.0       1.4
     166.0       3.6
     167.0       1.0
     178.0       2.5
     179.0       1.6
     180.0       1.3
     203.0       1.1
     204.0       2.0
     205.0      17.8
     206.0       8.4
     207.0       1.6
     208.0       1.1
     232.0       2.0
     249.0       1.1
     250.0       2.8
     252.0       1.2
     262.0       5.4
     263.0       1.1
     276.0       2.5
     294.0       1.4
     366.0       1.2

KBr disc

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