605-70-9

1,4-Naphthalenedicarboxylic acid(605-70-9) ¹H NMR

Product Name1,4-Naphthalenedicarboxylic acid

CAS 605-70-9

Molecular FormulaC12H8O4

Molecular Weight216.19

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

InChIKey ABMFBCRYHDZLRD-UHFFFAOYSA-N

SmilesC1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1

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1,4-Naphthalenedicarboxylic acid(605-70-9) <sup>1</sup>H NMR
Mass

MS-IW-7577          
1,4-naphthalenedicarboxylic acid
C12H8O4             (Mass of molecular ion:    216)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.3
      50.0       1.0
      51.0       1.3
      57.0       1.3
      57.5       1.3
      62.0       1.1
      63.0       2.9
      71.0       2.0
      74.0       1.9
      75.0       2.4
      76.0       1.5
      77.0       2.2
      85.0       3.0
      85.5       1.3
      89.0       1.3
      99.0       4.5
     114.0       1.8
     115.0      13.5
     116.0       2.4
     125.0       3.3
     126.0       4.1
     127.0       1.8
     142.0       1.1
     143.0       7.6
     144.0       1.3
     153.0       3.4
     170.0       5.5
     171.0      16.1
     172.0       2.5
     188.0       1.6
     198.0       8.0
     199.0      37.5
     200.0       5.2
     215.0       3.6
     216.0     100.0
     217.0      13.3
     218.0       1.6