Product Nameo-Phenylenediamine
CAS95-54-5
Molecular FormulaC6H8N2
Molecular Weight108.14
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
InChIKey GEYOCULIXLDCMW-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1N
Mass
MS-NW-1719 o-phenylenediamine C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.0 26.0 1.0 27.0 3.5 28.0 8.8 29.0 1.0 30.0 1.0 37.0 1.2 38.0 2.8 39.0 5.5 40.0 1.7 41.0 4.1 42.0 1.7 43.0 1.2 50.0 2.9 51.0 5.4 52.0 9.6 53.0 12.6 54.0 9.4 55.0 1.1 62.0 1.0 63.0 4.1 64.0 4.0 65.0 3.2 66.0 1.5 67.0 2.4 76.0 1.1 78.0 2.2 79.0 1.9 80.0 48.0 81.0 17.0 82.0 1.5 90.0 1.4 91.0 4.1 105.0 1.1 107.0 20.6 108.0 100.0 109.0 7.3
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C6 H8 N2 | 0.040 g : 0.5 ml DMSO-d6 |
o-phenylenediamine |
Assign. Shift(ppm) |
Hz ppm Int.
2608.76 6.528 51 2608.03 6.526 66 2604.49 6.517 637 2601.07 6.509 705 2598.75 6.503 599 2595.34 6.495 862 2591.55 6.485 144 2559.08 6.404 145 2555.30 6.394 850 2551.64 6.385 594 2549.56 6.380 696 2546.02 6.371 632 2542.60 6.363 69 2541.87 6.361 68 1744.26 4.365 1000
in DMSO-d6
in CDCl3
KBr disc
liquid film
nujol mull
o-Phenylenediamine(95-54-5) 13C NMR Atlas of Related Products