2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER(145073-32-1) MS

Product Name2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER

CAS 145073-32-1

Molecular FormulaC9H10O5

Molecular Weight198.17

InChIInChI=1S/C9H10O5/c10-3-4-14-9(13)7-2-1-6(11)5-8(7)12/h1-2,5,10-12H,3-4H2

InChIKey GYMSXVSHWCOJEJ-UHFFFAOYSA-N

SmilesC(OCCO)(=O)C1=CC=C(O)C=C1O

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Mass

MS-IW-0833          
2-hydroxyethyl 2,4-dihydroxybenzoate
C9H10O5             (Mass of molecular ion:    198)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.0
      27.0       1.7
      28.0       1.1
      39.0       1.1
      43.0       1.1
      45.0       2.2
      51.0       1.4
      52.0       1.8
      53.0       2.4
      69.0       3.9
      79.0       1.0
      80.0       4.5
      81.0       4.7
      95.0       2.4
     107.0       2.2
     108.0      19.8
     109.0       4.2
     136.0     100.0
     137.0      50.6
     138.0       4.4
     154.0       4.4
     155.0       2.3
     180.0      34.4
     181.0       3.7
     198.0      36.4
     199.0       3.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₅	0.032 g : 0.5 ml DMSO-d₆
2-hydroxyethyl 2,4-dihydroxybenzoate

    Assign.     Shift(ppm)

      A            10.77
      B            10.5
      C             7.733
      D             6.399
      E             6.321
      F             4.98
      G             4.290
      J             3.71

     Hz     ppm     Int.

   4302.76  10.767    294
   4195.61  10.499     44
   3094.96   7.745    850
   3090.57   7.734     28
   3086.36   7.723    907
   2563.05   6.414    453
   2560.67   6.408    507
   2554.26   6.392    444
   2551.88   6.386    525
   2527.33   6.324   1000
   2524.95   6.318    881
   1719.75   4.304    578
   1714.99   4.292    717
   1709.86   4.279    623
   1483.83   3.713    443

in DMSO-d6

KBr disc

nujol mull

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