Methyl 3,4-dimethoxybenzoate(2150-38-1) IR1
Product NameMethyl 3,4-dimethoxybenzoate
CAS2150-38-1
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
InChIKey BIGQPYZPEWAPBG-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(OC)C(OC)=C1
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MassMS-IW-7824 methyl veratrate C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.7 28.0 1.4 39.0 1.5 50.0 2.8 51.0 7.2 52.0 1.4 53.0 2.2 59.0 6.1 62.0 1.6 63.0 3.0 64.0 1.4 65.0 2.2 66.0 1.6 69.0 1.2 75.0 1.5 76.0 2.5 77.0 8.8 78.0 1.3 79.0 10.7 80.0 1.4 81.0 1.5 82.5 1.1 91.0 2.8 92.0 3.8 93.0 3.5 94.0 5.8 95.0 2.2 105.0 1.1 107.0 4.6 108.0 1.0 109.0 2.2 110.0 1.3 119.0 4.3 120.0 2.2 121.0 6.8 122.0 6.5 123.0 2.4 125.0 6.9 135.0 2.2 136.0 2.5 137.0 11.1 138.0 1.8 149.0 4.3 151.0 1.5 153.0 3.2 165.0 89.9 166.0 9.1 167.0 1.1 181.0 11.8 182.0 1.2 196.0 100.0 197.0 11.0 198.0 1.3
parameter in acetone-d6
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1H NMR 300 MHz C10 H12 O4 1.0 M in acetone-d6 methyl veratrate 
Parameter ppm Hz
D(A) 7.509 D(B) 7.000 D(C) 7.610 J(A,B) 0.30 J(A,C) 1.98 J(B,C) 8.36 D(D) 3.857 D(E) 3.876 D(F) 3.843 SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)
Hz ppm Int.2288.29 7.628 77 2286.36 7.621 86 2279.93 7.600 84 2277.99 7.593 96 2253.66 7.512 155 2251.70 7.506 137 2104.11 7.014 147 2095.74 6.986 134 1162.80 3.876 994 1157.11 3.857 1000 1152.92 3.843 997
KBr disc
nujol mull
