Methyl indole-5-carboxylate(1011-65-0) IR1
Product NameMethyl indole-5-carboxylate
CAS1011-65-0
Molecular FormulaC10H9NO2
Molecular Weight175.18
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
InChIKey DRYBMFJLYYEOBZ-UHFFFAOYSA-N
SmilesN1C2=C(C=C(C(OC)=O)C=C2)C=C1
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MassMS-KW-0539 indole-5-carboxylic acid methyl ester C10H9NO2 (Mass of molecular ion: 175)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 1.7 38.0 1.1 39.0 2.7 50.0 1.2 51.0 1.3 52.0 1.0 57.5 2.3 58.0 11.7 58.5 1.4 62.0 4.4 63.0 7.2 64.0 1.4 65.0 1.3 72.0 10.1 72.5 1.2 76.0 1.0 78.5 1.3 86.0 1.0 87.0 2.0 87.5 1.7 88.0 3.6 89.0 15.7 90.0 2.7 114.0 1.9 115.0 6.1 116.0 49.4 117.0 6.0 130.0 1.8 143.0 2.9 144.0 100.0 145.0 10.5 146.0 1.0 159.0 1.4 174.0 2.7 175.0 75.1 176.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C10H9NO2 0.040 g : 0.5 ml CDCl3 methyl 5-indolecarboxylate 
Assign. Shift(ppm)
A 8.8 B 8.432 C 7.898 D 7.368 E 7.230 F 6.620 G 3.926
Hz ppm Int.3512.94 8.788 22 3371.46 8.434 140 3370.61 8.432 147 3369.88 8.430 144 3162.72 7.912 100 3161.14 7.908 100 3154.18 7.890 109 3152.47 7.886 109 2949.59 7.378 119 2940.92 7.357 112 2893.44 7.238 90 2890.14 7.230 129 2887.82 7.224 92 2649.30 6.627 65 2648.44 6.625 73 2647.34 6.622 78 2646.25 6.620 107 2645.27 6.617 76 2644.05 6.614 71 2643.19 6.612 63 1569.34 3.926 1000
in CDCl3
KBr disk
Nujol
