Terephthalaldehyde(623-27-8) IR2
Product NameTerephthalaldehyde
CAS623-27-8
Molecular FormulaC8H6O2
Molecular Weight134.13
InChIInChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
InChIKey KUCOHFSKRZZVRO-UHFFFAOYSA-N
SmilesC1(C=O)=CC=C(C=O)C=C1
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MassMS-NW-4739 terephthalaldehyde C8H6O2 (Mass of molecular ion: 134)
Source Temperature: 210 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.9 28.0 2.1 29.0 7.2 37.0 3.0 38.0 3.3 39.0 3.6 49.0 2.1 50.0 19.2 51.0 42.7 52.0 5.5 53.0 1.4 61.0 1.5 62.0 1.9 63.0 2.2 73.0 1.9 74.0 8.2 75.0 5.8 76.0 8.7 77.0 50.4 78.0 5.8 91.0 1.0 102.0 1.0 103.0 1.1 104.0 3.3 105.0 60.2 106.0 4.9 130.0 1.6 131.0 1.1 133.0 89.5 134.0 100.0 135.0 9.3
parameter in CDCl3
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1H NMR 300 MHz C8 H6 O2 0.038 g : 0.5 ml CDCl3 terephthalaldehyde 
Parameter ppm Hz
D(A) 10.135 D(B) 8.054
Hz ppm Int.3040.49 10.135 500 2416.19 8.054 1000
in CDCl3
KBr disc
nujol mull
