94050-90-5

(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid(94050-90-5) MS

Product Name(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid

CAS 94050-90-5

Molecular FormulaC9H10O4

Molecular Weight182.17

InChIInChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1

InChIKey AQIHDXGKQHFBNW-ZCFIWIBFSA-N

SmilesC(O)(=O)[C@H](OC1=CC=C(O)C=C1)C

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(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid(94050-90-5) MS
Mass

MS-KW-0191          
(R)-2-(p-hydroxyphenoxy)propionic acid
C9H10O4             (Mass of molecular ion:    182)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.9
      26.0       2.2
      27.0       7.0
      28.0       4.8
      29.0       2.1
      38.0       1.1
      39.0       7.9
      43.0       2.7
      44.0       1.0
      45.0       3.3
      50.0       1.0
      51.0       1.8
      52.0       1.6
      53.0       7.5
      54.0       3.9
      55.0       6.7
      56.0      10.1
      63.0       2.5
      64.0       2.3
      65.0       9.7
      66.0       1.1
      68.5       1.3
      73.0       3.0
      74.0      28.5
      75.0       1.3
      79.0       1.0
      81.0      18.8
      82.0       5.8
      93.0       5.0
      94.0       2.1
     107.0       1.1
     108.0       1.1
     109.0      49.7
     110.0     100.0
     111.0       7.0
     136.0       3.2
     137.0      16.7
     138.0       1.5
     164.0       1.2
     182.0      55.5
     183.0       5.7

400 MHz in DMSO-d6

(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid(94050-90-5) MS

¹H NMR	399.65 MHz
C₉ H₁₀ O₄	0.039 g : 0.5 ml DMSO-d₆
(R)-2-(p-hydroxyphenoxy)propionic acid

    Assign.     Shift(ppm)

      A            12.9
      B             8.96
      C     *1      6.701
      D     *1      6.666
      E             4.628
      F             1.449

     Hz     ppm     Int.

   3582.00   8.963     31
   2687.97   6.726     43
   2685.22   6.719    288
   2682.47   6.713    144
   2678.63   6.703    208
   2676.06   6.697    906
   2673.13   6.689    156
   2669.83   6.681    171
   2667.09   6.674    894
   2664.34   6.667    193
   2660.49   6.658    147
   2658.30   6.652    229
   2657.75   6.651    290
   2655.00   6.644     32
   1859.87   4.654     74
   1853.10   4.637    291
   1846.32   4.620    291
   1839.54   4.603     73
    582.65   1.458   1000
    575.88   1.441    967

in DMSO-d6