1,3-Benzodioxole(274-09-9) IR1
Product Name1,3-Benzodioxole
CAS274-09-9
Molecular FormulaC7H6O2
Molecular Weight122.12
InChIInChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChIKey FTNJQNQLEGKTGD-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2OC1
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MassMS-NW-5304 1,3-benzodioxole C7H6O2 (Mass of molecular ion: 122)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 2.7 28.0 1.4 29.0 2.7 37.0 3.3 38.0 8.9 39.0 6.0 40.0 2.4 50.0 2.9 51.0 2.8 52.0 2.4 53.0 3.1 54.0 2.2 61.0 5.5 62.0 5.7 63.0 27.9 64.0 23.7 65.0 11.3 66.0 7.0 76.0 1.1 77.0 2.0 92.0 2.3 93.0 1.6 121.0 100.0 122.0 82.9 123.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 O2 0.04 ml : 0.5 ml CDCl3 1,3-benzodioxole 
Assign. Shift(ppm)
A 6.81 B 5.90
Hz ppm Int.609.56 6.807 1000 528.19 5.898 702
in CDCl3
liquid film
4880 A,200 M,liquid
