Product Name1(2H)-Phthalazinone
CAS119-39-1
Molecular FormulaC8H6N2O
Molecular Weight146.15
InChIInChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
InChIKey IJAPPYDYQCXOEF-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C=NN1
Mass
MS-IW-5529 1(2H)-phthalazinone C8H6N2O (Mass of molecular ion: 146)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.3 38.0 1.4 39.0 4.3 50.0 3.6 51.0 1.7 52.0 1.0 59.0 4.4 61.0 1.1 62.0 3.5 63.0 10.0 64.0 4.3 73.0 1.6 74.0 1.6 75.0 2.1 76.0 1.9 89.0 29.8 90.0 11.6 91.0 7.6 117.0 7.2 118.0 15.3 119.0 1.4 145.0 1.8 146.0 100.0 147.0 10.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H6 N2 O | 0.040 g : 0.5 ml DMSO-d6 |
1(2H)-phthalazinone |
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Assign. Shift(ppm) |
Hz ppm Int.
5090.93 12.739 161 3364.22 8.418 1000 3314.58 8.294 356 3313.85 8.292 351 3306.89 8.275 394 3305.97 8.273 374 3190.94 7.985 66 3187.83 7.977 753 3186.91 7.975 819 3183.07 7.965 980 3181.97 7.962 552 3175.19 7.945 51 3174.09 7.943 52 3165.30 7.921 59 3161.09 7.910 275 3157.06 7.900 292 3153.21 7.890 306 3149.55 7.881 213 3148.63 7.879 198 3144.79 7.869 152
in DMSO-d6
KBr disc
nujol mull
1(2H)-Phthalazinone(119-39-1) MS Atlas of Related Products
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