Product Name3-Nitrophthalhydrazide
CAS3682-15-3
Molecular FormulaC8H5N3O4
Molecular Weight207.14
InChIInChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)
InChIKey YVOBBFQJMOGQOU-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)NN1
Mass
MS-NW-9330 5-nitro-2,3-dihydro-1,4-phthalazinedione C8H5N3O4 (Mass of molecular ion: 207)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 5.1 28.0 5.3 29.0 1.0 30.0 3.3 37.0 1.4 38.0 1.7 39.0 2.7 44.0 1.8 50.0 8.5 51.0 6.7 52.0 2.2 53.0 1.9 62.0 2.4 63.0 5.9 64.0 5.8 65.0 2.4 73.0 1.1 74.0 7.7 75.0 32.1 76.0 26.0 77.0 6.3 78.0 4.5 89.0 3.4 90.0 2.8 91.0 3.9 92.0 10.3 93.0 1.4 103.0 9.0 104.0 33.4 105.0 4.9 106.0 1.9 117.0 1.9 119.0 5.7 120.0 2.2 132.0 1.4 133.0 1.4 134.0 1.0 147.0 1.5 148.0 85.0 149.0 7.9 161.0 4.3 162.0 3.1 163.0 2.0 177.0 11.9 178.0 54.0 179.0 5.2 207.0 100.0 208.0 13.5 209.0 1.7
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H5 N3 O4 | 0.039 g : 0.5 ml DMSO-d6 |
5-nitro-2,3-dihydro-1,4-phthalazinedione |
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Assign. Shift(ppm) |
Hz ppm Int.
4813.23 12.044 125 3320.01 8.308 418 3312.32 8.289 494 3303.34 8.266 31 3302.27 8.263 30 3301.85 8.262 30 3300.35 8.259 31 3299.07 8.255 34 3291.59 8.237 549 3290.31 8.233 577 3283.68 8.217 812 3282.61 8.214 729 3275.99 8.198 23 3259.11 8.155 25 3251.42 8.136 710 3243.51 8.116 1000 3239.45 8.106 69 3235.60 8.097 425
in DMSO-d6
KBr disc
nujol mull
3-Nitrophthalhydrazide(3682-15-3) IR2 Atlas of Related Products
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