6-Nitrophthalide(610-93-5) IR1
Product Name6-Nitrophthalide
CAS610-93-5
Molecular FormulaC8H5NO4
Molecular Weight179.13
InChIInChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2
InChIKey RNWGZXAHUPFXLL-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC([N+]([O-])=O)=C2)CO1
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MassMS-IW-6599 6-nitrophthalide C8H5NO4 (Mass of molecular ion: 179)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.4 39.0 1.7 50.0 3.1 51.0 2.2 62.0 1.3 63.0 3.9 65.0 1.1 74.0 3.4 75.0 6.3 76.0 8.2 77.0 2.4 89.0 5.1 92.0 2.1 103.0 2.4 104.0 15.3 105.0 1.6 120.0 1.3 122.0 1.0 132.0 6.9 133.0 4.5 134.0 1.4 150.0 100.0 151.0 8.2 178.0 3.8 179.0 42.5 180.0 4.2
KBr disc
nujol mull
