487-70-7

间苯三酚甲醛(487-70-7)红外图谱(IR1)

产品名称:间苯三酚甲醛

CAS:487-70-7

分子式:C7H6O4

分子量: 154.12

InChI:InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H

InChIKey: BTQAJGSMXCDDAJ-UHFFFAOYSA-N

Smiles:C(=O)C1=C(O)C=C(O)C=C1O

Mass

MS-NW-7724          
2,4,6-trihydroxybenzaldehyde
C7H6O4 (H2O)        (Mass of molecular ion:    154)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      16.0       1.2
      17.0       1.7
      18.0       1.3
      26.0       1.2
      27.0       3.4
      28.0       2.1
      29.0       5.3
      36.0       6.8
      37.0       1.8
      38.0       3.0
      39.0       6.3
      40.0       1.1
      41.0       7.6
      42.0       3.0
      43.0       4.3
      50.0       3.4
      51.0       6.0
      52.0       2.8
      53.0       5.7
      54.0       2.0
      55.0       5.3
      62.0       1.1
      63.0       1.9
      66.0       1.7
      67.0       4.0
      68.0       1.0
      69.0      19.3
      70.0       1.1
      71.0       2.0
      77.0       1.2
      79.0       3.0
      80.0       1.6
      83.0       1.8
      84.0       1.2
      85.0       1.1
      95.0       1.2
      96.0       1.0
      97.0       3.8
     107.0       1.5
     108.0       7.7
     111.0       1.1
     125.0       1.7
     126.0       1.6
     136.0       2.8
     153.0     100.0
     154.0      94.3
     155.0       7.9
     156.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ O₄	0.035 g : 0.5 ml DMSO-d₆
2,4,6-trihydroxybenzaldehyde

    Assign.     Shift(ppm)

      A            11.5
      B            10.7
      C             9.959
      D             5.825

     Hz     ppm     Int.

   4599.68  11.510    155
   4282.07  10.715     52
   3980.57   9.961    565
   2328.23   5.826   1000

in DMSO-d6

KBr disc

nujol mull

更多供应商