6-Nitrobenzothiazole(2942-06-5) IR2
Product Name6-Nitrobenzothiazole
CAS2942-06-5
Molecular FormulaC7H4N2O2S
Molecular Weight180.18
InChIInChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChIKey QLUFBCVWKTWKBF-UHFFFAOYSA-N
SmilesS1C2=CC([N+]([O-])=O)=CC=C2N=C1
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MassMS-IW-6088 6-nitrobenzothiazole C7H4N2O2S (Mass of molecular ion: 180)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
45.0 1.8 61.0 1.0 62.0 2.9 63.0 14.5 64.0 1.0 69.0 3.0 81.0 1.7 90.0 4.3 95.0 1.8 106.0 1.6 107.0 10.6 108.0 1.1 122.0 5.7 133.0 1.7 134.0 34.1 135.0 3.7 136.0 1.7 150.0 10.3 180.0 100.0 181.0 9.4 182.0 5.1
KBr disc
nujol mull
