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Product NameBETA,4-DINITROSTYRENE
CAS3156-41-0
Molecular FormulaC8H6N2O4
Molecular Weight194.14
InChIInChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H
InChIKey HABXLWPUIWFTNM-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(C=C[N+]([O-])=O)C=C1
MS
IR1
IR2
Mass
MS-IW-5375 4,beta-dinitrostyrene C8H6N2O4 (Mass of molecular ion: 194)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.5 18.0 7.4 27.0 3.9 28.0 10.0 30.0 23.3 37.0 1.2 38.0 2.8 39.0 11.6 40.0 1.2 43.0 1.8 44.0 2.9 50.0 25.9 51.0 21.4 52.0 11.5 53.0 2.9 55.0 1.7 61.0 1.8 62.0 6.1 63.0 19.8 64.0 7.8 65.0 19.6 66.0 2.5 67.0 1.4 68.0 1.4 69.0 1.0 73.0 1.2 74.0 14.4 75.0 24.4 76.0 47.6 77.0 12.3 78.0 6.8 79.0 7.4 80.0 2.1 81.0 1.1 86.0 1.2 87.0 2.3 88.0 1.4 89.0 41.4 90.0 30.8 91.0 4.8 92.0 11.6 93.0 4.6 98.0 2.9 99.0 1.1 101.0 25.0 102.0 73.9 103.0 8.0 104.0 3.0 105.0 3.7 106.0 2.2 116.0 1.2 117.0 17.1 118.0 42.8 119.0 6.8 120.0 9.7 121.0 1.8 130.0 1.9 131.0 4.7 132.0 1.7 134.0 1.4 146.0 1.0 147.0 92.3 148.0 16.8 149.0 2.1 150.0 9.0 151.0 5.3 162.0 1.1 164.0 1.5 177.0 13.8 178.0 2.8 194.0 100.0 195.0 10.2 196.0 1.2
KBr disc
nujol mull
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Aromsyn Co., Ltd.
BETA,4-DINITROSTYRENE(3156-41-0) MS Atlas of Related Products