6-Nitroindoline(19727-83-4) 1H NMR
Product Name6-Nitroindoline
CAS19727-83-4
Molecular FormulaC8H8N2O2
Molecular Weight164.16
InChIInChI=1S/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2
InChIKey LTNYDSMDSLOMSM-UHFFFAOYSA-N
SmilesN1C2=C(C=CC([N+]([O-])=O)=C2)CC1
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MassMS-NW-2600 6-nitroindoline C8H8N2O2 (Mass of molecular ion: 164)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.6 27.0 2.1 28.0 3.0 30.0 2.0 37.0 1.0 38.0 2.2 39.0 8.0 40.0 1.1 41.0 2.1 50.0 3.3 51.0 6.8 52.0 3.6 53.0 1.4 58.0 1.7 60.0 1.3 61.0 4.2 62.0 12.9 63.0 3.5 64.0 11.8 65.0 1.9 74.0 1.0 75.0 1.3 76.0 1.7 77.0 5.6 78.0 3.8 79.0 3.3 87.0 1.4 88.0 1.3 89.0 24.9 90.0 16.5 91.0 28.5 92.0 3.5 104.0 3.5 105.0 1.9 106.0 6.1 116.0 11.5 117.0 61.0 118.0 97.6 119.0 9.2 131.0 1.1 132.0 4.0 133.0 1.6 134.0 6.0 146.0 5.7 147.0 2.3 148.0 1.1 158.0 1.2 162.0 3.0 163.0 11.9 164.0 100.0 165.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 N2 O2 saturated in CDCl3 6-nitroindoline 
Assign. Shift(ppm)
A 7.516 B 7.313 C 7.132 D 4.1 E 3.651 F 3.078 C-H COSY
Hz ppm Int.679.19 7.584 358 677.13 7.561 423 671.19 7.495 544 669.13 7.472 665 662.00 7.392 65 655.88 7.324 1000 653.88 7.302 839 648.19 7.238 80 641.81 7.167 712 633.81 7.077 457 366.00 4.087 152 344.31 3.845 49 343.38 3.835 49 338.06 3.775 324 336.75 3.761 358 328.44 3.668 912 320.25 3.576 739 309.94 3.461 47 309.13 3.452 48 309.00 3.451 48 308.50 3.445 49 283.69 3.168 692 275.31 3.075 870 266.75 2.979 390 257.38 2.874 37 254.94 2.847 32 254.63 2.844 32
in CDCl3
KBr disc
nujol mull
