Product Name3-HYDROXY-7-METHOXY-2-NAPHTHOIC ACID

CAS

Molecular FormulaC12H10O4

Molecular Weight218.21

InChIInChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15)

InChIKey UDAQUPSJOGVPIX-UHFFFAOYSA-N

SmilesC12C=C(C=CC1=CC(=C(C(=O)O)C=2)O)OC

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Mass

MS-IW-0796          
3-hydroxy-7-methoxy-2-naphthoic acid
C12H10O4            (Mass of molecular ion:    218)

   Source Temperature: 140 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.8
      18.0      10.2
      44.0       1.0
      50.0       1.3
      51.0       2.3
      56.5       1.0
      63.0       1.8
      74.0       1.4
      75.0       4.1
      76.0       1.2
      86.0       1.2
     100.0       8.5
     100.5       1.2
     101.0       8.2
     102.0       3.1
     113.0       2.0
     114.0       1.4
     115.0       2.8
     129.0       8.6
     130.0       1.6
     144.0      18.3
     145.0       3.7
     157.0      11.0
     158.0       1.6
     159.0       1.2
     170.0       1.1
     172.0      31.1
     173.0       4.5
     174.0       2.5
     185.0       4.3
     200.0     100.0
     201.0      13.5
     202.0       1.6
     218.0      56.7
     219.0       7.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₄	0.036 g : 0.5 ml DMSO-d₆
3-hydroxy-7-methoxy-2-naphthoic acid

    Assign.     Shift(ppm)

      A            12.
      B             8.466
      C             7.710
      D             7.406
      E             7.305
      F             7.237
      G             3.860

     Hz     ppm     Int.

   3383.47   8.467    279
   3086.24   7.723    135
   3077.26   7.700    147
   2961.23   7.410    140
   2958.67   7.404    150
   2919.57   7.306    280
   2897.98   7.252    114
   2895.42   7.245    108
   2889.01   7.229    107
   2886.44   7.223    102
   1542.80   3.861   1000

in DMSO-d6

KBr disc

nujol mull

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