2,4,6-TRIHYDROXYBENZALDEHYDE(487-70-7) MS
Product Name2,4,6-TRIHYDROXYBENZALDEHYDE
CAS487-70-7
Molecular FormulaC7H6O4
Molecular Weight154.12
InChIInChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
InChIKey BTQAJGSMXCDDAJ-UHFFFAOYSA-N
SmilesC(=O)C1=C(O)C=C(O)C=C1O
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MassMS-NW-7724 2,4,6-trihydroxybenzaldehyde C7H6O4 (H2O) (Mass of molecular ion: 154)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
16.0 1.2 17.0 1.7 18.0 1.3 26.0 1.2 27.0 3.4 28.0 2.1 29.0 5.3 36.0 6.8 37.0 1.8 38.0 3.0 39.0 6.3 40.0 1.1 41.0 7.6 42.0 3.0 43.0 4.3 50.0 3.4 51.0 6.0 52.0 2.8 53.0 5.7 54.0 2.0 55.0 5.3 62.0 1.1 63.0 1.9 66.0 1.7 67.0 4.0 68.0 1.0 69.0 19.3 70.0 1.1 71.0 2.0 77.0 1.2 79.0 3.0 80.0 1.6 83.0 1.8 84.0 1.2 85.0 1.1 95.0 1.2 96.0 1.0 97.0 3.8 107.0 1.5 108.0 7.7 111.0 1.1 125.0 1.7 126.0 1.6 136.0 2.8 153.0 100.0 154.0 94.3 155.0 7.9 156.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 O4 0.035 g : 0.5 ml DMSO-d6 2,4,6-trihydroxybenzaldehyde 
Assign. Shift(ppm)
A 11.5 B 10.7 C 9.959 D 5.825
Hz ppm Int.4599.68 11.510 155 4282.07 10.715 52 3980.57 9.961 565 2328.23 5.826 1000
in DMSO-d6
KBr disc
nujol mull
