3,4,4'-TRIAMINODIPHENYL ETHER(6264-66-0) MS
Product Name3,4,4'-TRIAMINODIPHENYL ETHER
CAS6264-66-0
Molecular FormulaC12H13N3O
Molecular Weight215.25
InChIInChI=1S/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2
InChIKey MPKIJEUTPZPJFP-UHFFFAOYSA-N
SmilesC1(N)=CC=C(OC2=CC=C(N)C=C2)C=C1N
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MassMS-IW-7600 4-(4-aminophenoxy)-o-phenylenediamine C12H13N3O (Mass of molecular ion: 215)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
27.0 1.4 28.0 2.6 39.0 2.2 41.0 1.3 51.0 1.4 52.0 3.3 53.0 3.8 54.0 1.6 63.0 1.7 65.0 3.8 66.0 1.3 78.0 2.0 79.0 2.1 80.0 8.1 81.0 1.3 90.0 2.1 91.0 1.1 92.0 1.2 93.0 3.7 94.0 1.1 95.0 4.9 96.0 1.1 99.0 1.6 105.0 1.0 106.0 2.8 107.0 2.8 107.5 3.4 108.0 13.3 109.0 3.7 123.0 7.9 124.0 1.2 143.0 1.5 159.0 1.1 169.0 4.4 170.0 8.9 171.0 4.6 186.0 6.6 187.0 2.4 197.0 3.5 198.0 1.1 214.0 4.3 215.0 100.0 216.0 14.2 217.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H13 N3 O 0.040 g : 0.5 ml DMSO-d6 4-(4-aminophenoxy)-o-phenylenediamine 
Assign. Shift(ppm)
A 6.640 B 6.520 C 6.433 D 6.159 E 5.984 F *1 4.75 G *1 4.55 J *1 4.14
Hz ppm Int.2661.99 6.661 88 2658.69 6.653 699 2656.62 6.648 283 2652.10 6.637 342 2649.90 6.631 1000 2646.73 6.623 149 2612.92 6.539 143 2609.74 6.531 993 2607.54 6.525 333 2603.03 6.514 292 2600.95 6.509 708 2597.66 6.500 100 2575.32 6.444 530 2567.02 6.424 584 2463.01 6.163 586 2460.33 6.157 619 2397.09 5.998 339 2394.41 5.992 317 2388.92 5.978 317 2386.11 5.971 297 1899.66 4.754 332 1817.63 4.549 472 1655.76 4.144 284
in DMSO-d6
KBr disc
nujol mull
