1-PYRENEMETHANOL(24463-15-8) ¹³C NMR

Product Name1-PYRENEMETHANOL

CAS 24463-15-8

Molecular FormulaC17H12O

Molecular Weight232.28

InChIInChI=1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2

InChIKey NGDMLQSGYUCLDC-UHFFFAOYSA-N

SmilesC1(CO)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1

Request For Quotation

Mass

MS-IW-7579          
(1-pyrenyl)methanol
C17H12O             (Mass of molecular ion:    232)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.2
      18.0       6.7
      87.0       2.0
      88.0       2.4
      93.5       3.0
      94.0       1.5
      94.5       6.2
      95.0       1.6
      99.0       1.4
      99.5       1.4
     100.0       8.1
     100.5       4.0
     101.0       7.2
     101.5       1.5
     102.0       2.9
     105.5       2.2
     106.0       2.1
     106.5       6.6
     107.0       4.0
     107.5       3.2
     108.0       3.0
     115.5       4.1
     116.0       2.5
     174.0       1.1
     187.0       1.7
     189.0       5.0
     198.0       1.5
     199.0       2.0
     200.0      10.9
     201.0      14.6
     202.0      31.7
     203.0      47.0
     204.0       9.8
     211.0       1.9
     212.0       1.2
     213.0       8.9
     214.0       4.8
     215.0      50.2
     216.0      30.7
     217.0       5.1
     229.0       5.4
     230.0       8.7
     231.0      14.3
     232.0     100.0
     233.0      18.3
     234.0       1.9

400 MHz at 60C

¹H NMR	399.65 MHz
C₁₇ H₁₂ O	saturated in CDCl₃ at 60 C
(1-pyrenyl)methanol

    Assign.     Shift(ppm)

      A             8.194
      B             8.080
      C             7.994
      D             7.983
      E             7.93
      F             7.92
      G             7.90
      J             5.241
      K             1.90

     Hz     ppm     Int.

   3279.91   8.207    388
   3270.75   8.185    488
   3233.40   8.091    654
   3229.98   8.083     45
   3229.49   8.081     46
   3225.71   8.072    786
   3199.71   8.007    322
   3194.58   7.994    497
   3192.02   7.988    491
   3187.99   7.977     37
   3185.42   7.971    393
   3179.20   7.955    186
   3170.29   7.933   1000
   3165.41   7.921    798
   3163.57   7.916    458
   3162.96   7.915    465
   3158.08   7.903    501
   3156.74   7.899    323
   3155.64   7.897    382
   3150.27   7.883    344
   2094.73   5.242    802
    760.01   1.902    222

in CDCl3