1,1,2-Trimethyl-1H-benz[e]indole(41532-84-7) 1H NMR
Product Name1,1,2-Trimethyl-1H-benz[e]indole
CAS41532-84-7
Molecular FormulaC15H15N
Molecular Weight209.29
InChIInChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
InChIKey WJZSZXCWMATYFX-UHFFFAOYSA-N
SmilesN1C2=C(C3=CC=CC=C3C=C2)C(C)(C)C=1C
-
MassMS-IW-9537 2,3,3-trimethyl-3H-benz(e)indole C15H15N (Mass of molecular ion: 209)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.5 51.0 1.6 63.0 3.3 69.5 1.5 74.0 1.1 75.0 2.5 75.5 1.3 76.0 9.5 76.5 1.7 77.0 2.0 81.5 1.5 82.0 3.3 82.5 2.9 83.0 2.0 83.5 1.4 89.0 1.2 90.5 6.2 91.0 1.1 95.5 1.4 96.0 1.0 96.5 6.1 97.0 4.6 102.0 1.0 103.5 1.4 104.5 3.0 115.0 2.2 126.0 2.4 127.0 3.5 128.0 2.4 139.0 2.2 141.0 1.1 150.0 2.8 151.0 7.8 152.0 23.7 153.0 27.2 154.0 3.8 163.0 1.6 164.0 2.1 165.0 11.6 166.0 3.7 167.0 11.2 168.0 4.1 177.0 1.1 178.0 2.2 179.0 1.7 191.0 1.7 192.0 2.9 193.0 6.0 194.0 62.2 195.0 9.8 207.0 1.8 208.0 31.1 209.0 100.0 210.0 16.5 211.0 1.3
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H15 N 0.041 g : 0.5 ml CDCl3 2,3,3-trimethyl-3H-benz(e)indole 
Assign. Shift(ppm)
A 7.999 B 7.925 C 7.836 D 7.779 E 7.525 F 7.424 G 2.365 J 1.520 ASSIGNED BY C-H AND H-H COSY
Hz ppm Int.3201.29 8.011 77 3192.87 7.990 84 3171.75 7.937 78 3163.45 7.916 84 3137.33 7.851 65 3128.78 7.829 123 3112.06 7.787 136 3103.64 7.766 71 3015.50 7.546 40 3008.18 7.528 72 3000.37 7.508 50 2974.12 7.442 56 2966.43 7.423 74 2958.98 7.404 38 945.31 2.366 558 617.92 1.547 30 607.67 1.521 1000
in CDCl3
KBr disc
nujol mull
