Molecular FormulaC15H15ClN4O2
Molecular Weight318.7582
InChIInChI=1S/C15H14N4O2.ClH/c1-11-16-18(13-5-3-2-4-6-13)19(17-11)14-9-7-12(8-10-14)15(20)21;/h2-10H,1H3,(H,16,17)(H,20,21);1H
InChIKey GMXLDZGEOXBVDE-UHFFFAOYSA-N
SmilesN1=C(C)NN(C2=CC=C(C(O)=O)C=C2)[NH+]1C1=CC=CC=C1.[Cl-]
400 MHz in D2O
1H NMR | 399.65 MHz |
C15 H13 Cl N4 O2 | ca 0.005 g : 0.5 ml CDCl3 |
3-(p-carboxyphenyl)-5-methyl-2-phenyl-2H-tetrazolium chloride |
Assign. Shift(ppm) |
Hz ppm Int.
3230.10 8.083 61 3229.86 8.082 61 3227.78 8.077 243 3225.95 8.072 151 3225.71 8.072 151 3222.78 8.065 56 3218.99 8.055 253 3119.14 7.805 62 3114.75 7.794 95 3110.47 7.783 77 3083.13 7.715 105 3080.57 7.709 273 3076.78 7.699 76 3073.49 7.691 132 3071.78 7.687 247 3069.70 7.681 102 3069.46 7.681 102 3067.75 7.677 62 3067.26 7.675 64 3066.89 7.674 63 3066.28 7.673 59 3065.92 7.672 58 3065.19 7.670 57 3064.45 7.668 60 3062.38 7.663 88 3060.06 7.657 174 3057.50 7.651 593 3053.10 7.640 601 3047.00 7.625 49 3046.75 7.624 49 3046.14 7.623 45 3045.65 7.621 46 1192.50 2.984 30 1192.02 2.983 30 1191.65 2.982 32 1191.28 2.981 32 1190.92 2.980 32 1190.55 2.979 34 1189.94 2.978 36 1182.37 2.959 1000 1177.25 2.946 47 1175.29 2.941 30
KBr disc
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