5-amino-3-phenyl-1,2,4-oxadiazole(3663-37-4) MS
Product Name5-amino-3-phenyl-1,2,4-oxadiazole
CAS3663-37-4
Molecular FormulaC8H7N3O
Molecular Weight161.16
InChIInChI=1S/C8H7N3O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey DZHVJUCGKWKRTO-UHFFFAOYSA-N
SmilesO1C(N)=NC(C2=CC=CC=C2)=N1
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MassMS-NW-7643 5-amino-3-phenyl-1,2,4-oxadiazole C8H7N3O (Mass of molecular ion: 161)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 1.9 28.0 2.7 30.0 1.7 37.0 1.4 38.0 2.5 39.0 7.2 41.0 2.3 43.0 1.6 44.0 9.0 50.0 9.5 51.0 16.0 52.0 3.8 62.0 2.7 63.0 7.8 64.0 14.6 65.0 3.2 74.0 2.4 75.0 3.7 76.0 9.6 77.0 21.0 78.0 2.0 88.0 1.2 89.0 3.7 90.0 2.2 91.0 30.1 92.0 2.5 103.0 14.7 104.0 13.5 105.0 1.2 118.0 63.7 119.0 44.6 120.0 3.9 161.0 100.0 162.0 10.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 N3 O saturated in CDCl3 5-amino-3-phenyl-1,2,4-oxadiazole 
Assign. Shift(ppm)
A 7.942 B 7.49 C 7.46 D 6.00
Hz ppm Int.3181.15 7.960 90 3178.59 7.954 502 3177.25 7.951 565 3171.14 7.935 575 3169.43 7.931 536 3003.05 7.515 53 3001.59 7.511 106 3000.00 7.507 89 2998.54 7.503 76 2997.44 7.501 50 2996.83 7.499 51 2994.51 7.493 293 2993.65 7.491 331 2991.09 7.485 204 2989.26 7.480 408 2987.55 7.476 725 2985.60 7.471 1000 2984.01 7.467 399 2981.08 7.460 242 2979.86 7.457 341 2978.27 7.453 716 2975.83 7.447 148 2973.51 7.441 132 2972.05 7.437 215 2969.48 7.431 176 2397.22 5.999 189
in CDCl3
