Molecular FormulaC7H6O3
Molecular Weight138.12
InChIInChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKey LUSZGTFNYDARNI-UHFFFAOYSA-N
SmilesO1C2=CC=C(O)C=C2OC1
Mass
MS-NW-7658 3,4-methylenedioxyphenol C7H6O3 (Mass of molecular ion: 138)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 2.4 27.0 2.4 28.0 3.3 29.0 2.6 38.0 1.9 39.0 3.3 41.0 1.2 42.0 1.9 50.0 5.1 51.0 10.8 52.0 23.1 53.0 10.8 54.0 2.8 55.0 3.3 62.0 2.3 63.0 1.6 65.0 1.3 68.0 1.7 68.5 2.4 69.0 10.5 79.0 5.2 80.0 12.7 81.0 5.1 82.0 2.7 107.0 4.4 108.0 2.9 109.0 1.3 137.0 68.0 138.0 100.0 139.0 8.4 140.0 1.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H6 O3 | 0.044 g : 0.5 ml CDCl3 |
3,4-methylenedioxyphenol |
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Assign. Shift(ppm) |
Hz ppm Int.
599.25 6.692 114 598.81 6.687 103 591.00 6.599 168 590.56 6.595 164 576.38 6.436 118 576.00 6.432 124 573.88 6.408 178 573.50 6.404 146 564.19 6.300 158 561.69 6.272 108 555.88 6.207 98 553.38 6.179 76 527.44 5.890 1000 460.94 5.147 26
in CDCl3
KBr disc
nujol mull
Sesamol(533-31-3) MS Atlas of Related Products
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