Terephthalic acid(100-21-0) IR1
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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![](https://www.chemicalbook.com/Spectrum/100-21-0_MS.gif)
Mass
MS-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
TI(III) COMPLEX IN C6H6/C6H5(CH3), X-BAND
TI(III) COMPLEX IN C6H6/C6H5(CH3). Q-BAND