5-METHOXY-2-METHYL-3-INDOLEACETIC ACID(2882-15-7) Raman

Product Name5-METHOXY-2-METHYL-3-INDOLEACETIC ACID

CAS 2882-15-7

Molecular FormulaC12H13NO3

Molecular Weight219.24

InChIInChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)

InChIKey TXWGINUZLBAKDF-UHFFFAOYSA-N

SmilesN1C2=C(C=C(OC)C=C2)C(CC(O)=O)=C1C

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5-METHOXY-2-METHYL-3-INDOLEACETIC ACID(2882-15-7) Raman
Mass

MS-IW-4648          
5-methoxy-2-methyl-3-indoleacetic acid
C12H13NO3           (Mass of molecular ion:    219)

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

      28.0       1.4
      44.0       1.2
      51.0       1.7
      52.0       1.2
      63.0       2.1
      77.0       2.9
      86.5       1.5
      87.0       3.4
      89.0       2.1
      90.0       1.0
     102.0       1.1
     103.0       2.4
     115.0       1.2
     116.0       1.0
     130.0       6.9
     131.0      10.9
     132.0       1.9
     143.0       1.8
     144.0       1.0
     158.0       7.4
     159.0      15.4
     160.0       4.4
     173.0       4.2
     174.0     100.0
     175.0      13.9
     176.0       4.3
     218.0       1.6
     219.0      44.0
     220.0       6.0

400 MHz in DMSO-d6

5-METHOXY-2-METHYL-3-INDOLEACETIC ACID(2882-15-7) Raman

¹H NMR	399.65 MHz
C₁₂ H₁₃ N O₃	0.041 g : 0.5 ml DMSO-d₆
5-methoxy-2-methyl-3-indoleacetic acid

    Assign.     Shift(ppm)

      A            12.1
      B            10.6
      C             7.129
      D             6.896
      E             6.635
      F             3.723
      G             3.531
      J             2.295

     Hz     ppm     Int.

   4820.76  12.063    142
   4255.50  10.649    107
   2853.73   7.141    147
   2844.94   7.119    160
   2757.21   6.900    132
   2754.82   6.894    136
   2657.38   6.650     94
   2655.00   6.644     89
   2648.77   6.628     87
   2646.21   6.622     83
   1488.04   3.724   1000
   1411.48   3.532    392
    917.30   2.296    727

KBr disc