Terephthalic acid(100-21-0) IR2
Product NameTerephthalic acid
CAS100-21-0
Molecular FormulaC8H6O4
Molecular Weight166.13
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N
SmilesC1(C(O)=O)=CC=C(C(O)=O)C=C1
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MassMS-NW-6840 terephthalic acid C8H6O4 (Mass of molecular ion: 166)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.7 27.0 2.3 28.0 2.1 37.0 3.7 37.5 1.1 38.0 5.4 39.0 12.5 45.0 7.3 49.0 2.0 50.0 20.0 51.0 13.7 52.0 3.3 53.0 4.0 55.0 1.1 61.0 1.1 62.0 1.3 63.0 2.4 64.0 1.4 65.0 41.9 66.0 3.3 73.0 2.8 74.0 12.2 75.0 11.6 76.0 10.7 77.0 7.6 93.0 5.3 103.0 3.5 104.0 3.4 105.0 2.9 120.0 1.6 121.0 33.1 122.0 2.8 138.0 2.8 148.0 1.2 149.0 100.0 150.0 9.2 151.0 1.1 166.0 86.6 167.0 8.0 168.0 1.2
KBr disk
Nujol
TI(III) COMPLEX IN C6H6/C6H5(CH3), X-BAND
TI(III) COMPLEX IN C6H6/C6H5(CH3). Q-BAND
