Phthalan(496-14-0) Raman

Product NamePhthalan

CAS 496-14-0

Molecular FormulaC8H8O

Molecular Weight120.15

InChIInChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

InChIKey SFLGSKRGOWRGBR-UHFFFAOYSA-N

SmilesC1C2=C(C=CC=C2)CO1

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Phthalan(496-14-0) Raman
Mass

MS-NW-8386          
1,3-dihydroisobenzofuran
C8H8O               (Mass of molecular ion:    120)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0       1.6
      29.0       1.6
      37.0       1.4
      38.0       3.3
      39.0      14.5
      40.0       1.3
      41.0       2.5
      50.0       4.0
      51.0       6.6
      52.0       1.1
      59.5       1.0
      61.0       1.9
      62.0       5.2
      63.0      13.6
      64.0       3.4
      65.0      22.6
      66.0       1.5
      74.0       1.0
      77.0       1.4
      86.0       1.2
      89.0      10.8
      90.0       5.0
      91.0     100.0
      92.0      56.9
      93.0       4.1
     105.0       2.3
     119.0      22.5
     120.0      25.0
     121.0       2.2

400 MHz in CDCl3

Phthalan(496-14-0) Raman

¹H NMR	399.65 MHz
C₈ H₈ O	0.05 ml : 0.5 ml CDCl₃
1,3-dihydroisobenzofuran

    Assign.     Shift(ppm)

      A     *1      7.23
      B     *1      7.21
      C             5.086

     Hz     ppm     Int.

   2896.97   7.249    117
   2893.43   7.240    121
   2892.09   7.237    112
   2890.50   7.233    134
   2888.06   7.227    320
   2885.13   7.220    175
   2882.20   7.212    296
   2879.52   7.206    124
   2877.93   7.202    128
   2876.83   7.199    131
   2873.05   7.189    113
   2032.59   5.086   1000

in CDCl3