Product Name1,3-DIIMINOISOINDOLINE
CAS57500-34-2
Molecular FormulaC8H7N3
Molecular Weight145.16
InChIInChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKey RZVCEPSDYHAHLX-UHFFFAOYSA-N
SmilesC1(=N)C2=C(C=CC=C2)C(=N)N1
Mass
MS-NW-7888 isoindoline-1,3-diimine C8H7N3 (Mass of molecular ion: 145)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.1 18.0 4.6 27.0 1.0 28.0 2.6 37.0 1.4 38.0 1.7 39.0 2.4 43.0 13.2 50.0 10.5 51.0 5.5 52.0 3.0 62.0 1.5 63.0 2.5 64.0 2.3 65.0 7.8 72.5 4.9 73.0 1.4 74.0 4.5 75.0 9.7 76.0 25.8 77.0 3.9 90.0 3.9 91.0 2.3 101.0 1.9 102.0 16.5 103.0 31.0 104.0 6.8 117.0 3.3 118.0 9.6 119.0 1.0 128.0 9.5 129.0 64.3 130.0 6.5 144.0 2.3 145.0 100.0 146.0 13.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H7 N3 | 0.039 g : 0.5 ml DMSO-d6 |
isoindoline-1,3-diimine |
Assign. Shift(ppm) |
Hz ppm Int.
3463.44 8.667 42 3161.32 7.911 61 3159.79 7.907 91 3156.13 7.898 858 3153.08 7.890 820 3150.63 7.884 801 3147.58 7.876 1000 3143.92 7.867 110 3142.55 7.864 91 3045.50 7.621 81 3044.28 7.618 113 3040.47 7.608 985 3037.57 7.601 793 3034.97 7.595 790 3032.07 7.587 882 3028.41 7.578 93 3026.89 7.574 72
in DMSO-d6
KBr disc
nujol mull
1,3-DIIMINOISOINDOLINE(57500-34-2) MS Atlas of Related Products
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