3,5-Di-tert-butylaniline(2380-36-1) IR2
Product Name3,5-Di-tert-butylaniline
CAS2380-36-1
Molecular FormulaC14H23N
Molecular Weight205.34
InChIInChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3
InChIKey MJKNHXCPGXUEDO-UHFFFAOYSA-N
SmilesC1(N)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
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MassMS-IW-9450 3,5-di-tert-butylaniline C14H23N (Mass of molecular ion: 205)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.6 28.0 2.2 29.0 9.9 30.0 1.0 39.0 3.7 41.0 16.1 42.0 2.1 51.0 1.6 53.0 1.8 55.0 2.9 57.0 61.3 58.0 2.9 58.5 2.6 59.5 5.8 63.0 1.0 64.5 1.8 65.0 4.3 65.5 4.8 66.0 1.7 67.0 1.2 71.5 3.6 72.0 1.4 72.5 7.3 73.0 1.3 73.5 11.2 74.0 1.3 77.0 4.1 78.0 1.3 79.0 1.9 87.0 1.4 87.5 8.8 88.0 1.2 91.0 4.9 92.0 1.1 93.0 4.8 94.0 7.4 95.0 3.7 103.0 1.3 105.0 1.8 106.0 7.6 107.0 5.3 108.0 1.2 115.0 3.5 116.0 1.7 117.0 3.9 118.0 3.1 119.0 2.9 120.0 3.3 121.0 1.0 128.0 1.4 129.0 1.0 130.0 3.4 131.0 2.6 132.0 4.4 133.0 2.8 134.0 78.3 135.0 8.4 143.0 1.5 144.0 2.2 145.0 1.9 146.0 2.7 147.0 3.5 148.0 7.2 149.0 1.7 158.0 1.0 159.0 1.0 160.0 1.9 162.0 6.5 163.0 15.6 164.0 2.0 174.0 2.4 175.0 1.0 190.0 98.6 191.0 14.5 192.0 1.0 204.0 1.7 205.0 100.0 206.0 16.1 207.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H23 N 0.041 g : 0.5 ml CDCl3 3,5-di-tert-butylaniline 
Assign. Shift(ppm)
A 6.845 B 6.557 C 3.6 D 1.287
Hz ppm Int.2737.30 6.850 36 2735.60 6.845 65 2733.89 6.841 37 2621.34 6.560 139 2619.75 6.556 134 514.65 1.288 1000
in CDCl3
KBr disk
nujol mull
