5-CHLORO-1-PHENYL-1H-TETRAZOLE(14210-25-4) IR2
Product Name5-CHLORO-1-PHENYL-1H-TETRAZOLE
CAS14210-25-4
Molecular FormulaC7H5ClN4
Molecular Weight180.59
InChIInChI=1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKey DHELIGKVOGTMGF-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)C(Cl)=NN=N1
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MassMS-NW-7549 5-chloro-1-phenyl-1H-tetrazole C7H5ClN4 (Mass of molecular ion: 180)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.5 26.0 1.1 27.0 2.1 28.0 1.3 37.0 3.1 38.0 7.1 39.0 13.9 40.0 1.2 41.0 1.8 47.0 1.7 49.0 1.2 50.0 8.3 51.0 17.0 52.0 2.6 61.0 1.8 62.0 3.0 63.0 9.0 64.0 14.8 65.0 55.1 66.0 3.5 74.0 2.4 75.0 1.9 76.0 2.1 77.0 20.6 78.0 1.5 89.0 1.6 90.0 7.5 91.0 18.2 92.0 1.4 116.0 10.2 117.0 100.0 118.0 9.4 125.0 9.7 127.0 3.1 152.0 20.6 153.0 1.7 154.0 6.8 180.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 Cl N4 0.039 g : 0.5 ml CDCl3 5-chloro-1-phenyl-1H-tetrazole 
Assign. Shift(ppm)
A 7.61
Hz ppm Int.685.38 7.653 38 681.63 7.611 1000 677.13 7.561 34 675.88 7.547 29
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
