49745-42-8

2-(2-PYRIDINYL)-1,3-PROPANEDIOL(49745-42-8)红外图谱(IR1)

产品名称:2-(2-PYRIDINYL)-1,3-PROPANEDIOL

CAS:49745-42-8

分子式:C8H11NO2

分子量: 153.18

InChI:InChI=1S/C8H11NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2

InChIKey: JGXRFQKRGPKWPP-UHFFFAOYSA-N

Smiles:C(O)C(C1=NC=CC=C1)CO

Mass

MS-NW-8508          
2-(2-pyridyl)-1,3-propanediol
C8H11NO2            (Mass of molecular ion:    153)

   Source Temperature: 150 °C
   Sample Temperature:  70 °C
   Direct, 75 eV

      18.0       3.3
      27.0       3.0
      28.0       3.3
      29.0       1.8
      31.0       3.6
      38.0       1.0
      39.0       5.2
      40.0       1.1
      41.0       1.8
      42.0       1.1
      50.0       2.2
      51.0       7.5
      52.0       6.3
      53.0       3.4
      54.0       1.0
      63.0       1.5
      64.0       1.1
      65.0       5.3
      66.0       3.9
      67.0       2.2
      77.0       3.2
      78.0      12.4
      79.0      22.5
      80.0       3.2
      92.0       5.4
      93.0      32.5
      94.0      10.7
     104.0      10.9
     105.0      34.2
     106.0      38.5
     107.0       3.2
     117.0       1.0
     118.0       3.9
     120.0       2.1
     122.0     100.0
     123.0      33.1
     124.0       2.6
     134.0       1.3
     136.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₁ N O₂	0.041 g : 0.5 ml CDCl₃
2-(2-pyridyl)-1,3-propanediol

    Assign.     Shift(ppm)

      A             8.456
      B             7.651
      C             7.247
      D             7.177
      E             4.61
      F     *1      4.079
      G     *1      3.989
      J             3.073

     Hz     ppm     Int.

   3383.54   8.467    389
   3382.57   8.464    438
   3381.71   8.462    453
   3380.86   8.460    406
   3378.54   8.454    406
   3377.69   8.452    448
   3376.71   8.450    435
   3375.85   8.448    386
   3066.77   7.674    351
   3064.94   7.670    351
   3062.50   7.663     39
   3059.08   7.655    693
   3057.25   7.650    678
   3051.39   7.636    423
   3049.56   7.631    406
   2901.25   7.260    423
   2900.27   7.258    697
   2899.29   7.255    445
   2893.43   7.240    394
   2892.46   7.238    632
   2891.36   7.235    394
   2875.00   7.194    424
   2873.90   7.192    397
   2870.12   7.182    420
   2868.90   7.179    417
   2867.43   7.175    420
   2866.33   7.173    370
   2862.55   7.163    384
   2861.33   7.160    355
   1842.65   4.611    447
   1640.26   4.105    586
   1634.52   4.090    627
   1629.15   4.077    996
   1623.41   4.063   1000
   1600.95   4.006    704
   1595.95   3.994    732
   1589.84   3.979    443
   1584.96   3.966    428
   1238.77   3.100    109
   1233.52   3.087    345
   1228.15   3.074    498
   1222.78   3.060    329
   1217.41   3.047    103

in CDCl3