4-ETHYLCATECHOL(1124-39-6) ¹³C NMR

Product Name4-ETHYLCATECHOL

CAS 1124-39-6

Molecular FormulaC8H10O2

Molecular Weight138.16

InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3

InChIKey HFLGBNBLMBSXEM-UHFFFAOYSA-N

SmilesC1(O)=CC=C(CC)C=C1O

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4-ETHYLCATECHOL(1124-39-6) <sup>13</sup>C NMR
Mass

MS-IW-9531          
4-ethylpyrocatechol
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.0
      28.0       1.3
      38.0       1.1
      39.0       4.9
      41.0       1.9
      43.0       1.3
      50.0       1.8
      51.0       7.5
      52.0       1.5
      53.0       3.2
      55.0       2.6
      61.5       1.0
      62.0       1.0
      63.0       2.4
      64.0       1.1
      65.0       4.1
      66.0       1.5
      67.0       1.6
      69.0       1.1
      77.0      12.0
      78.0       1.2
      79.0       1.7
      81.0       1.2
      89.0       1.6
      91.0       6.4
      92.0       2.0
      94.0       1.8
     105.0       3.8
     107.0       1.9
     110.0       1.4
     119.0       1.5
     120.0       1.9
     121.0       1.3
     122.0       1.1
     123.0     100.0
     124.0       7.7
     136.0       1.3
     137.0       4.2
     138.0      31.1
     139.0       2.8

400 MHz in CDCl3

4-ETHYLCATECHOL(1124-39-6) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₁₀ O₂	0.040 g : 0.5 ml CDCl₃
4-ethylpyrocatechol

    Assign.     Shift(ppm)

      A             6.764
      B             6.699
      C             6.610
      D             5.8
      E             2.498
      F             1.145

     Hz     ppm     Int.

   2707.76   6.776    267
   2699.58   6.755    335
   2678.59   6.703    233
   2676.51   6.698    254
   2646.36   6.622    152
   2644.29   6.617    137
   2638.31   6.602    117
   2636.23   6.597    107
   2320.68   5.807     41
   1008.30   2.523    105
   1000.61   2.504    297
    993.04   2.485    301
    985.47   2.466    107
    465.45   1.165    541
    457.76   1.146   1000
    450.20   1.127    509

in CDCl3