Indazole(271-44-3) 1H NMR
Molecular FormulaC7H6N2
Molecular Weight118.14
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
InChIKey BAXOFTOLAUCFNW-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C=N1
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MassMS-NW-2244 1H-indazole C7H6N2 (Mass of molecular ion: 118)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.1 28.0 1.6 37.0 1.9 38.0 3.5 39.0 4.6 41.0 2.3 50.0 1.5 51.0 1.4 52.0 4.0 59.0 2.5 61.0 1.6 62.0 3.4 63.0 10.6 64.0 12.0 65.0 3.2 89.0 3.2 90.0 4.1 91.0 28.8 92.0 2.4 117.0 3.0 118.0 100.0 119.0 8.3
parameter in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 300 MHz C7 H6 N2 0.25 mol% in DMSO-d6 1H-indazole 
Parameter ppm Hz
D(A) 8.08 D(B) 7.77 D(C) 7.11 D(D) 7.35 D(E) 7.55 J(A,B) 0.0 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 1.11 J(B,C) 8.12 J(B,D) 0.96 J(B,E) 1.05 J(C,D) 6.89 J(C,E) 0.78 J(D,E) 8.46 D(F) 13.04 FRUCHIER,A. ET AL. ORG.MAGN.RESON. 9, 235 (1977)
Hz ppm Int.3911.99 13.040 1000 2424.53 8.082 590 2423.53 8.078 594 2335.17 7.784 288 2334.28 7.781 183 2327.04 7.757 312 2269.97 7.567 205 2269.14 7.564 204 2261.51 7.538 270 2260.68 7.536 268 2213.02 7.377 161 2212.08 7.374 162 2206.10 7.354 203 2205.16 7.351 233 2203.67 7.346 138 2197.70 7.326 149 2196.76 7.323 146 2140.58 7.135 187 2139.91 7.133 186 2132.72 7.109 267 2125.64 7.085 144 2124.98 7.083 142
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1H NMR 399.65 MHz C7 H6 N2 0.038 g : 0.5 ml DMSO-d6 1H-indazole Assign. Shift(ppm)
A 13.1 B 8.104 C 7.783 D 7.578 E 7.362 F 7.128
Hz ppm Int.5241.13 13.115 230 3239.12 8.105 1000 3114.93 7.795 605 3106.87 7.774 638 3099.36 7.756 22 3040.75 7.609 23 3040.38 7.608 25 3033.42 7.591 517 3024.99 7.570 622 2949.90 7.382 338 2942.57 7.363 540 2934.69 7.344 325 2855.75 7.146 400 2848.42 7.128 591 2840.91 7.109 327 2835.60 7.096 25 2835.05 7.094 23
in DMSO-d6
in CDCl3
CCl4 solution
KBr disc
nujol mull
