491-36-1

4-羥基喹唑啉(491-36-1)紅外圖譜(IR1)

產(chǎn)品名稱:4-羥基喹唑啉

CAS:491-36-1

分子式:C8H6N2O

分子量: 146.15

InChI:InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C(=O)NC=1

Mass

MS-NW-7943          
4-quinazolinol
C8H6N2O             (Mass of molecular ion:    146)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.1
      28.0       8.0
      37.0       2.5
      38.0       3.8
      39.0       5.2
      41.0       1.3
      50.0       5.4
      51.0       1.6
      52.0       2.3
      53.0       1.0
      59.0       4.4
      61.0       1.4
      62.0       2.6
      63.0       9.1
      64.0      10.7
      65.0       2.2
      73.0       2.7
      74.0       2.2
      75.0       1.9
      76.0       4.8
      90.0      13.2
      91.0      12.7
      92.0      12.2
     103.0       1.1
     117.0       6.7
     118.0      25.7
     119.0      17.1
     120.0       1.5
     145.0      33.3
     146.0     100.0
     147.0       9.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ N₂ O	0.040 g : 0.5 ml DMSO-d₆
4-quinazolinol

    Assign.     Shift(ppm)

      A            12.31
      B             8.17
      C             8.150
      D             7.844
      E             7.708
      F             7.558

     Hz     ppm     Int.

   4918.75  12.308    101
   3273.73   8.192     48
   3270.80   8.185    423
   3270.25   8.183    444
   3269.16   8.181    483
   3268.79   8.180    461
   3262.93   8.165    475
   3262.38   8.164    522
   3261.28   8.161    561
   3260.73   8.159    537
   3257.25   8.151   1000
   3251.39   8.136     48
   3250.84   8.135     46
   3144.05   7.868    269
   3142.40   7.863    300
   3140.39   7.858     47
   3136.91   7.850    345
   3135.81   7.847    475
   3135.26   7.846    446
   3134.16   7.843    427
   3131.23   7.835     43
   3130.68   7.834     43
   3128.67   7.829    436
   3127.02   7.825    421
   3083.97   7.717    543
   3079.03   7.705     52
   3076.28   7.698    398
   3075.73   7.697    401
   3030.31   7.583     30
   3028.11   7.577    340
   3027.01   7.575    358
   3020.97   7.560    367
   3020.05   7.557    546
   3019.13   7.555    413
   3015.65   7.546     40
   3015.10   7.545     40
   3013.09   7.540    295
   3011.99   7.537    294

in DMSO-d6