Back ChemicalBook Home>CAS DataBase List>114212-83-8More Spectrum> N-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboximidamide(114212-83-8) MS
N-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboximidamide(114212-83-8) MS
Molecular FormulaC8H13N5O
Molecular Weight195.22
InChIInChI=1S/C8H13N5O/c1-6-10-8(14-12-6)11-7(9)13-4-2-3-5-13/h2-5H2,1H3,(H2,9,10,11,12)
InChIKey PIINYFHNSMVTLG-UHFFFAOYSA-N
SmilesN1(C(NC2ON=C(C)N=2)=N)CCCC1
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MassMS-NW-7569 N(1)-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboxamidine C8H13N5O (Mass of molecular ion: 195)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 4.9 18.0 1.0 27.0 5.3 28.0 10.8 29.0 3.2 30.0 11.7 39.0 4.7 40.0 3.4 41.0 14.5 42.0 15.7 43.0 33.7 44.0 4.1 53.0 4.4 54.0 1.6 55.0 12.5 56.0 5.0 57.0 10.0 58.0 1.7 67.0 1.6 68.0 13.9 69.0 43.5 70.0 100.0 71.0 7.7 72.0 5.2 82.0 6.0 83.0 15.7 84.0 7.3 85.0 13.4 86.0 6.5 95.0 3.4 96.0 2.2 97.0 7.7 98.0 6.7 99.0 8.5 100.0 10.3 110.0 8.5 111.0 6.9 112.0 14.2 113.0 3.0 124.0 5.8 125.0 11.6 126.0 9.8 127.0 5.7 137.0 3.1 138.0 3.8 139.0 1.0 140.0 3.1 152.0 1.2 153.0 10.8 154.0 5.2 166.0 4.9 167.0 9.9 168.0 1.0 194.0 1.3 195.0 35.9 196.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H13 N5 O saturated in CDCl3 N(1)-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboxamidine 
Assign. Shift(ppm)
A 6.9 B 3.50 C 2.240 D 2.00
Hz ppm Int.898.44 2.249 33 895.14 2.240 1000 800.29 2.003 58
in CDCl3
