DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3) IR1

Product NameDIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE

CAS 840-65-3

Molecular FormulaC14H12O4

Molecular Weight244.24

InChIInChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3

InChIKey GYUVMLBYMPKZAZ-UHFFFAOYSA-N

SmilesC1=C2C(C=C(C(OC)=O)C=C2)=CC=C1C(OC)=O

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Mass

MS-IW-2495          
dimethyl 2,6-naphthalenedicarboxylate
C14H12O4            (Mass of molecular ion:    244)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      50.0       1.3
      63.0       6.1
      74.0       2.3
      75.0       2.2
      76.0       2.3
      77.0       9.3
      77.5       1.1
      87.0       1.1
      91.0       7.4
      91.5       1.0
      99.0       1.4
     100.0       1.0
     106.0       1.6
     114.0       2.7
     115.0       1.6
     125.0       4.4
     126.0      16.9
     127.0       4.1
     142.0       1.4
     153.0       2.3
     154.0      14.6
     155.0       2.6
     170.0       6.2
     171.0       1.2
     185.0      32.5
     186.0       4.7
     199.0       2.1
     213.0     100.0
     214.0      14.6
     215.0       1.6
     244.0      81.7
     245.0      12.7
     246.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₂ O₄	0.043 g : 0.5 ml CDCl₃
dimethyl 2,6-naphthalenedicarboxylate

    Assign.     Shift(ppm)

      A             8.594
      B             8.083
      C             7.975
      D             3.985
     
     J(A,B)=1.3HZ, J(B,C)=8.6HZ

     Hz     ppm     Int.

    770.06   8.599    142
    769.25   8.590    148
    730.94   8.162     37
    729.75   8.149     34
    722.31   8.066    126
    721.19   8.053    114
    715.88   7.994    182
    707.38   7.899     46
    356.94   3.986   1000

in CDCl3