4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) 1H NMR
Product Name4-AMIDINOBENZAMIDE HYDROCHLORIDE
CAS59855-11-7
Molecular FormulaC8H10ClN3O
Molecular Weight199.64
InChIInChI=1S/C8H9N3O.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H2,11,12);1H
InChIKey IYIAWOSYBLPUNL-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=C(C(=N)N)C=C1.[H]Cl
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MassMS-IW-0089 p-amidinobenzamide hydrochloride C8H9N3O HCl (Mass of molecular ion: 163)
Source Temperature: 240 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 1.6 18.0 6.4 28.0 1.6 35.0 2.2 36.0 27.2 37.0 1.0 38.0 9.2 39.0 1.7 43.0 10.8 44.0 5.1 50.0 7.1 51.0 8.2 51.5 2.9 52.0 2.6 63.0 1.3 64.0 1.0 65.0 6.4 65.5 1.3 73.0 1.4 74.0 3.1 75.0 8.5 76.0 9.9 77.0 8.8 78.0 1.7 90.0 1.0 91.0 1.0 92.0 4.2 101.0 1.5 102.0 23.1 103.0 12.5 104.0 5.0 105.0 3.0 118.0 1.3 119.0 14.0 120.0 4.4 121.0 1.6 128.0 4.0 129.0 1.4 130.0 24.6 131.0 2.4 146.0 12.8 147.0 89.0 148.0 8.9 162.0 5.6 163.0 100.0 164.0 12.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N3 O 0.036 g : 0.5 ml DMSO-d6 p-amidinobenzamide hydrochloride 
Assign. Shift(ppm)
A *1 9.66 B *1 9.45 C *2 8.36 D *3 8.104 E *3 7.974 F *2 7.71
Hz ppm Int.3858.80 9.656 233 3776.25 9.449 232 3341.22 8.361 358 3331.91 8.338 28 3250.27 8.133 30 3243.71 8.117 756 3235.32 8.096 1000 3198.24 8.003 25 3197.63 8.002 26 3190.31 7.983 968 3182.07 7.963 720 3079.83 7.707 361
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
