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3,4-(METHYLENEDIOXY)PHENYLACETIC ACID

Product Name 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID

CAS2861-28-1

MFC9H8O4

MW180.16

¹³CNMR

Mass

MS-IW-2681          
(1,3-benzodioxol-5-yl)acetic acid
C9H8O4              (Mass of molecular ion:    180)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       4.1
      27.0       1.1
      38.0       1.4
      39.0       3.0
      44.0       1.0
      45.0       1.2
      50.0       4.2
      51.0      13.9
      52.0       1.6
      53.0       1.9
      63.0       1.4
      65.0       1.7
      67.0       3.2
      74.0       1.1
      75.0       1.2
      76.0       1.9
      77.0      20.1
      78.0       2.9
      79.0       3.7
     105.0       7.9
     106.0       1.3
     134.0       1.0
     135.0     100.0
     136.0       9.0
     179.0       1.5
     180.0      38.1
     181.0       3.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₈ O₄	0.040 g : 0.5 ml CDCl₃
(1,3-benzodioxol-5-yl)acetic acid

    Assign.     Shift(ppm)

      A            11.
      B             6.771
      C             6.759
      D             6.712
      E             5.938
      F             3.552

     Hz     ppm     Int.

   2707.38   6.775    187
   2705.55   6.770    288
   2697.31   6.750    285
   2685.95   6.721    142
   2684.30   6.717    125
   2678.08   6.702     63
   2676.43   6.697     59
   2373.11   5.938   1000
   1419.54   3.552    409

in CDCl3

KBr disc

nujol mull

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