Cupferron(135-20-6) IR2
Molecular FormulaC6H9N3O2
Molecular Weight155.15
InChIInChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1
InChIKey GDEBSAWXIHEMNF-UHFFFAOYSA-O
SmilesC1(=CC=CC=C1)N([O-])N=O.[NH4+]
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MassMS2011-04453CW cupferron C6H9N3O2 (Mass of molecular ion: 155)
Source Temperature: 245 °C Sample Temperature: 25 °C Direct, 70 eV
16.0 4.5 17.0 6.0 27.0 2.2 30.0 12.0 37.0 2.3 38.0 4.3 39.0 6.4 49.0 1.2 50.0 11.3 51.0 29.5 52.0 5.1 53.0 4.2 61.0 1.2 62.0 1.9 63.0 5.5 64.0 7.8 65.0 8.2 66.0 1.1 74.0 4.2 75.0 2.4 76.0 2.7 77.0 56.2 78.0 100.0 79.0 6.6 91.0 7.0 92.0 9.1 93.0 2.7 107.0 12.7 108.0 86.9 109.0 13.1
90 MHz in D2O
in DMSO-d6
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1H NMR 89.56 MHz C6 H9 N3 O2 0.038 g : 0.5 ml D2O cupferron 
Assign. Shift(ppm)
A 7.78 B 7.52 SOLVENT PEAK REMOVED
Hz ppm Int.702.56 7.845 358 701.44 7.833 243 700.31 7.820 233 698.88 7.804 504 697.38 7.787 428 695.06 7.761 596 694.00 7.749 422 692.44 7.732 731 679.63 7.589 330 678.38 7.575 278 677.00 7.560 746 676.56 7.555 865 675.75 7.546 891 674.31 7.530 488 673.19 7.517 629 672.50 7.509 787 671.44 7.498 449 670.44 7.486 320 669.69 7.478 1000 668.94 7.470 336
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in DMSO-d6
in D2O
KBr disc
nujol mull
