3-METHYLINDENE-2-CARBOXYLIC ACID(34225-81-5) Raman

Product Name3-METHYLINDENE-2-CARBOXYLIC ACID

CAS 34225-81-5

Molecular FormulaC11H10O2

Molecular Weight174.2

InChIInChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey RONBYWGSEXDEKC-UHFFFAOYSA-N

SmilesC1C2=C(C=CC=C2)C(C)=C1C(O)=O

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Mass

MS-NW-6696          
3-methyl-2-indenecarboxylic acid
C11H10O2            (Mass of molecular ion:    174)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       1.0
      18.0       4.4
      27.0       2.3
      28.0       1.2
      38.0       1.2
      39.0       5.0
      44.0       2.7
      45.0       2.2
      50.0       5.6
      51.0      12.8
      52.0       2.0
      53.0       1.1
      61.0       1.4
      62.0       3.4
      63.0      10.0
      63.5       5.0
      64.0       7.6
      64.5       2.2
      65.0       1.7
      74.0       4.9
      75.0       5.3
      76.0       3.5
      77.0      11.6
      77.5       3.2
      78.0       4.1
      86.0       1.4
      87.0       2.4
      89.0       2.3
      91.0       1.4
      98.0       1.3
     101.0       3.4
     102.0       7.3
     103.0       4.4
     114.0       1.7
     115.0      36.8
     116.0       4.7
     126.0       5.3
     127.0      25.6
     128.0      57.3
     129.0     100.0
     130.0      55.9
     131.0       9.3
     132.0       1.2
     145.0       1.4
     146.0       4.3
     155.0       3.6
     156.0       4.4
     157.0       3.7
     174.0      77.6
     175.0      10.3
     176.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₀ O₂	0.037 g : 0.5 ml DMSO-d₆
3-methyl-2-indenecarboxylic acid

    Assign.     Shift(ppm)

      A            12.2
      B          7.55 to 7.52
      C             7.38
      D             3.597
      E             2.484

     Hz     ppm     Int.

   3023.71   7.566    116
   3021.70   7.561    112
   3020.78   7.559    107
   3019.50   7.556     96
   3016.94   7.549    130
   3015.65   7.546    151
   3015.10   7.545    148
   3011.26   7.535    108
   3010.52   7.533    116
   3009.43   7.531     99
   3006.68   7.524     90
   3005.58   7.521    121
   3005.03   7.520    117
   3002.65   7.514    128
   3002.10   7.512    122
   2958.51   7.403     43
   2953.19   7.390    192
   2951.54   7.386    298
   2948.06   7.377    316
   2944.95   7.369    216
   2944.40   7.368    215
   2943.12   7.365    183
   2937.81   7.351     41
   1438.96   3.601    346
   1436.76   3.596    339
    997.71   2.497    513
    995.33   2.491   1000
    992.95   2.485    455

DMSO-d6