2,5-Thiophenedicarboxylic acid(4282-31-9) IR1
Product Name2,5-Thiophenedicarboxylic acid
CAS4282-31-9
Molecular FormulaC6H4O4S
Molecular Weight172.16
InChIInChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey YCGAZNXXGKTASZ-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC(C(O)=O)=CC=1
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MassMS2006-03315WA 2,5-thiophenedicarboxylic acid C6H4O4S (Mass of molecular ion: 172)
Source Temperature: 250 °C Sample Temperature: 60 °C Direct, 70 eV
37.0 3.2 38.0 5.2 39.0 15.5 44.0 1.3 45.0 9.1 49.0 1.4 50.0 1.3 53.0 4.8 55.0 1.9 57.0 8.2 58.0 2.5 69.0 4.9 71.0 3.1 80.0 1.1 81.0 9.4 82.0 8.9 83.0 9.8 84.0 2.2 85.0 1.8 109.0 1.4 111.0 21.4 112.0 1.4 113.0 1.0 127.0 5.7 128.0 2.3 144.0 3.4 155.0 100.0 156.0 7.4 157.0 5.2 172.0 94.8 173.0 7.1 174.0 5.2
in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
