2169-87-1

2,3-萘二羧酸(2169-87-1)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):2,3-萘二羧酸

CAS:2169-87-1

分子式:C12H8O4

分子量: 216.19

InChI:InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)

InChIKey: KHARCSTZAGNHOT-UHFFFAOYSA-N

Smiles:C1=C2C(C=CC=C2)=CC(C(O)=O)=C1C(O)=O

¹HNMR

IR1

IR2

Mass

MS-NW-7157          
2,3-naphthalenedicarboxylic acid
C12H8O4             (Mass of molecular ion:    216)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       3.8
      18.0      17.2
      28.0       2.7
      37.0       1.4
      38.0       1.5
      39.0       3.5
      44.0       2.7
      45.0       1.5
      49.0       1.7
      50.0      12.4
      51.0       5.3
      52.0       2.1
      61.0       4.9
      61.5       1.5
      62.0       6.3
      62.5       2.3
      63.0      31.6
      63.5       4.2
      64.0       1.1
      65.0       1.3
      71.0       1.1
      72.0       2.4
      73.0       1.7
      74.0      13.9
      75.0      10.0
      76.0      11.9
      77.0      12.0
      77.5       2.0
      85.0       1.8
      86.0       4.8
      87.0       6.6
      88.0       1.4
      89.0       2.4
      97.0       1.0
      98.0       6.6
      99.0       6.1
     100.0       4.5
     101.0       1.6
     113.0       1.7
     114.0       2.9
     115.0      14.5
     116.0       1.9
     122.0       1.8
     125.0       4.9
     126.0     100.0
     127.0      24.8
     128.0       3.1
     142.0       1.3
     144.0       1.2
     154.0      53.6
     155.0      26.7
     156.0       3.0
     171.0       1.5
     172.0      26.4
     173.0       3.5
     198.0      73.0
     199.0      14.0
     200.0       2.0
     216.0      21.3
     217.0       3.1
     243.0       1.4

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₂ H₈ O₄	0.043 g : 0.5 ml DMSO-d₆
2,3-naphthalenedicarboxylic acid

    Assign.     Shift(ppm)

      A            13.
      B             8.352
      C             8.124
      D             7.702

     Hz     ppm     Int.

    748.14   8.354   1000
    743.95   8.307     62
    732.91   8.184    188
    729.69   8.148    197
    726.66   8.114    216
    723.44   8.078    283
    720.70   8.048     76
    720.21   8.042     78
    697.27   7.786     77
    694.04   7.750    339
    690.82   7.714    230
    687.89   7.681    230
    684.57   7.644    226

KBr disc