4-HYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER(2496-90-4) IR2

Product Name4-HYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER

CAS 2496-90-4

Molecular FormulaC9H10O4

Molecular Weight182.17

InChIInChI=1S/C9H10O4/c10-5-6-13-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2

InChIKey GFHGEIJFEHZKHZ-UHFFFAOYSA-N

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

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4-HYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER(2496-90-4) IR2
Mass

MS-IW-0834          
2-hydroxyethyl p-hydroxybenzoate
C9H10O4             (Mass of molecular ion:    182)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.7
      28.0       1.0
      39.0       3.3
      63.0       1.0
      65.0       8.3
      93.0      16.2
      94.0       1.3
      95.0       1.9
     120.0       1.1
     121.0     100.0
     122.0       8.0
     138.0      29.6
     139.0      36.4
     140.0       2.9
     151.0       1.6
     182.0       9.6
     183.0       1.4

400 MHz in DMSO-d6

4-HYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER(2496-90-4) IR2

¹H NMR	399.65 MHz
C₉ H₁₀ O₄	0.035 g : 0.5 ml DMSO-d₆
2-hydroxyethyl p-hydroxybenzoate

    Assign.     Shift(ppm)

      A            10.34
      B             7.872
      C             6.872
      D             4.9
      E             4.233
      F             3.696

     Hz     ppm     Int.

   4131.01  10.337    881
   3153.23   7.890     95
   3150.48   7.884    913
   3148.50   7.879    275
   3143.77   7.867    283
   3141.78   7.862    931
   3139.04   7.855    121
   2753.60   6.891    112
   2750.85   6.884   1000
   2748.87   6.879    287
   2744.14   6.867    288
   2742.16   6.862    909
   2739.26   6.855    125
   1964.57   4.916     41
   1696.93   4.247    458
   1692.05   4.234    561
   1686.86   4.221    499
   1482.39   3.710    356
   1477.20   3.697    460
   1472.32   3.685    329

in DMSO-d6