7-Hydroxy-5-methyl-1,3,4-triazaindolizine(2503-56-2) Raman
Product Name7-Hydroxy-5-methyl-1,3,4-triazaindolizine
CAS2503-56-2
Molecular FormulaC6H6N4O
Molecular Weight150.14
InChIInChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3,11H,1H3
InChIKey ZUIVNYGZFPOXFW-UHFFFAOYSA-N
SmilesC12=NC=NN1C(O)=CC(C)=N2
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MassMS-NW-6719 5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-ol C6H6N4O (Mass of molecular ion: 150)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
12.0 1.3 13.0 2.2 14.0 1.6 15.0 5.9 18.0 1.3 25.0 1.7 26.0 6.0 27.0 12.7 28.0 34.2 29.0 1.9 32.0 4.3 36.0 1.2 37.0 10.3 38.0 21.9 39.0 100.0 40.0 86.6 41.0 34.5 42.0 17.6 43.0 2.8 50.0 1.4 51.0 5.6 52.0 13.8 53.0 10.1 54.0 5.9 55.0 3.3 63.0 1.2 64.0 4.7 65.0 2.8 66.0 12.7 67.0 43.0 68.0 75.6 69.0 6.5 70.0 1.1 93.0 1.1 94.0 7.6 95.0 16.1 96.0 1.3 109.0 1.0 121.0 21.2 122.0 41.1 123.0 3.2 150.0 83.1 151.0 7.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N4 O 0.040 g : 0.5 ml DMSO-d6 5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-ol 
Assign. Shift(ppm)
A 13.2 B 8.206 C 5.841 D 2.348
Hz ppm Int.5286.33 13.228 38 3280.05 8.208 482 2335.14 5.843 309 2334.50 5.842 309 938.71 2.349 1000
KBr disc
nujol mull
4880 A,200 M,powder
