(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol(149-95-1) MS

Product Name(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol

CAS 149-95-1

Molecular FormulaC8H11NO3

Molecular Weight169.18

InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1

InChIKey SFLSHLFXELFNJZ-MRVPVSSYSA-N

SmilesC1(O)=CC=C([C@H](O)CN)C=C1O

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IR1

IR2

Mass

MS-NW-4901          
(R)-noradrenaline
C8H11NO3            (Mass of molecular ion:    169)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      16.0       5.5
      17.0       8.1
      18.0      26.6
      26.0       1.0
      27.0       4.8
      28.0       7.0
      29.0       3.2
      30.0     100.0
      31.0       6.7
      32.0      54.0
      37.0       1.0
      38.0       2.0
      39.0      10.9
      40.0       1.4
      41.0       1.5
      42.0       1.2
      43.0       1.8
      50.0       2.6
      51.0       5.3
      52.0       2.8
      53.0       3.8
      54.0       1.3
      55.0       3.6
      62.0       1.3
      63.0       3.6
      64.0       2.3
      65.0      37.8
      66.0       4.2
      67.0       1.8
      76.0       1.0
      77.0       4.6
      78.0       3.3
      79.0       1.6
      80.0       1.7
      81.0       3.7
      82.0       1.6
      93.0      55.6
      94.0       6.8
      95.0       1.8
     104.0       2.6
     105.0       1.4
     106.0       1.4
     107.0       1.2
     109.0       2.3
     110.0       2.9
     111.0      15.1
     112.0       1.3
     122.0       4.6
     123.0       6.9
     124.0       2.7
     132.0       1.6
     134.0       2.1
     136.0       1.9
     137.0       8.5
     138.0      10.5
     139.0      72.1
     140.0      16.4
     141.0       1.7
     149.0       1.8
     150.0       1.6
     151.0      11.2
     152.0       1.7
     161.0       3.0
     169.0       9.9
     170.0       1.0

KBr disc

nujol mull

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