2,7-Dimethoxynaphthalene(3469-26-9) IR1

Product Name2,7-Dimethoxynaphthalene

CAS 3469-26-9

Molecular FormulaC12H12O2

Molecular Weight188.22

InChIInChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3

InChIKey PPKHAIRFQKFMLE-UHFFFAOYSA-N

SmilesC1=C2C(C=CC(OC)=C2)=CC=C1OC

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Mass

MS-NW-9400          
2,7-dimethoxynaphthalene
C12H12O2            (Mass of molecular ion:    188)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       4.1
      28.0       1.1
      39.0       1.8
      50.0       2.3
      51.0       2.9
      52.0       1.0
      62.0       2.3
      63.0       4.6
      64.0       1.0
      74.0       2.2
      75.0       3.5
      76.0       3.9
      77.0       1.1
      86.0       1.0
      87.0       1.5
      88.0       2.7
      89.0       1.0
      91.0       1.2
      94.0       4.8
     101.0       2.3
     102.0      20.6
     103.0       2.0
     113.0       3.2
     114.0       6.1
     115.0      11.9
     116.0       1.9
     117.0       1.9
     127.0       1.9
     128.0       3.0
     129.0       2.3
     130.0      13.7
     131.0       1.7
     142.0       2.2
     143.0       2.7
     144.0       8.2
     145.0      58.3
     146.0       6.4
     157.0       3.2
     158.0       5.9
     159.0      13.1
     160.0       1.6
     173.0       2.6
     188.0     100.0
     189.0      13.2
     190.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₂ O₂	0.024 g : 0.5 ml CDCl₃
2,7-dimethoxynaphthalene

    Assign.     Shift(ppm)

      A             7.642
      B             7.050
      C             6.991
      D             3.892

     Hz     ppm     Int.

   3058.84   7.654    135
   3049.80   7.632    142
   2819.09   7.054    121
   2816.53   7.048    146
   2799.32   7.005    122
   2796.75   6.998     97
   2790.28   6.982    108
   2787.84   6.976     96
   1555.66   3.893   1000

in CDCl3