Phthalan(496-14-0) 1H NMR
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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MassMS-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
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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
liquid film
