4-METHOXY-1-METHYLINDOLE(7556-35-6) IR1
Product Name4-METHOXY-1-METHYLINDOLE
CAS7556-35-6
Molecular FormulaC10H11NO
Molecular Weight161.2
InChIInChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKey ATEWBFOJLQMYEA-UHFFFAOYSA-N
SmilesN1(C)C2=C(C(OC)=CC=C2)C=C1
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MassMS-NW-7627 4-methoxy-1-methylindole C10H11NO (Mass of molecular ion: 161)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.4 28.0 1.1 38.0 1.1 39.0 2.7 41.0 1.4 42.0 3.6 50.0 2.9 51.0 4.5 52.0 1.1 62.0 2.3 63.0 4.1 64.0 1.4 65.0 3.5 74.0 1.3 75.0 1.9 76.0 3.9 77.0 5.3 78.0 1.2 80.5 4.9 88.0 1.0 89.0 4.3 90.0 2.7 91.0 5.0 102.0 1.6 103.0 3.6 116.0 2.3 117.0 6.7 118.0 38.4 119.0 4.5 130.0 3.4 131.0 1.5 132.0 2.4 145.0 1.3 146.0 75.0 147.0 8.0 160.0 2.8 161.0 100.0 162.0 11.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H11 N O 0.036 g : 0.5 ml CDCl3 4-methoxy-1-methylindole 
Assign. Shift(ppm)
A 7.13 B 6.934 C 6.916 D 6.58 E 6.51 F 3.931 G 3.711 J(C,D)=3.1HZ J(B,D)=0.7HZ
Hz ppm Int.647.38 7.229 46 647.25 7.228 46 639.38 7.140 101 631.75 7.054 123 624.50 6.973 98 623.63 6.964 150 622.75 6.954 116 621.13 6.936 140 618.00 6.901 159 616.38 6.883 63 615.56 6.874 69 614.63 6.863 45 590.56 6.595 129 589.81 6.586 128 587.38 6.559 140 586.75 6.552 195 585.75 6.541 115 579.19 6.468 79 578.25 6.457 75 352.13 3.932 966 332.44 3.712 1000
in CDCl3
KBr disc
nujol mull
