3-(5-nitrothiophen-2-yl)acrylic acid(17163-22-3) MS
Product Name3-(5-nitrothiophen-2-yl)acrylic acid
CAS17163-22-3
Molecular FormulaC7H5NO4S
Molecular Weight199.19
InChIInChI=1S/C7H5NO4S/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)
InChIKey IIJCRPJUZLOCIE-UHFFFAOYSA-N
SmilesC(O)(=O)C=CC1SC([N+]([O-])=O)=CC=1
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MassMS-KW-0653 5-nitro-2-thiopheneacrylic acid C7H5NO4S (Mass of molecular ion: 199)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 3.3 18.0 16.3 26.0 1.6 27.0 5.2 28.0 7.9 29.0 1.3 30.0 6.0 32.0 1.1 37.0 2.0 38.0 4.7 39.0 11.8 41.0 1.6 42.0 1.1 43.0 1.5 44.0 19.7 45.0 22.0 46.0 1.1 47.0 1.1 49.0 1.2 50.0 4.5 51.0 7.3 52.0 2.3 53.0 13.6 54.0 2.1 55.0 4.1 57.0 7.2 58.0 4.9 59.0 2.6 60.0 1.4 61.0 2.5 62.0 4.5 63.0 19.4 64.0 4.7 65.0 9.1 68.0 1.5 69.0 20.2 70.0 4.4 71.0 3.9 74.0 1.5 75.0 1.3 76.0 1.1 77.0 2.3 79.0 3.9 80.0 1.5 81.0 10.1 82.0 10.6 83.0 2.2 84.0 1.5 85.0 11.8 87.0 1.7 92.0 1.0 93.0 2.7 95.0 3.7 96.0 5.7 97.0 22.5 98.0 2.8 99.0 1.9 105.0 1.1 106.0 2.0 107.0 5.9 108.0 10.7 109.0 3.1 110.0 1.1 111.0 1.0 112.0 1.3 113.0 2.2 120.0 3.1 121.0 5.1 122.0 1.0 123.0 4.3 124.0 3.2 125.0 12.7 126.0 1.7 127.0 1.3 135.0 4.8 136.0 3.8 137.0 2.2 141.0 1.0 151.0 3.2 152.0 3.9 153.0 100.0 154.0 9.2 155.0 5.8 156.0 1.0 157.0 1.1 167.0 1.8 169.0 1.3 182.0 8.2 183.0 2.7 199.0 70.3 200.0 6.7 201.0 4.2
KBr disc
nujol mull
