Phthalic acid(88-99-3) MS
Product NamePhthalic acid
CAS88-99-3
Molecular FormulaC8H6O4
Molecular Weight166.13
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey XNGIFLGASWRNHJ-UHFFFAOYSA-N
SmilesC1(C(O)=O)=CC=CC=C1C(O)=O
-
MassMS-NW-1792 phthalic acid C8H6O4 (Mass of molecular ion: 166)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.4 18.0 11.0 26.0 1.2 27.0 2.9 28.0 3.8 29.0 1.1 36.0 1.0 37.0 9.3 37.5 2.9 38.0 13.6 39.0 18.9 40.0 1.0 41.0 1.1 43.0 1.2 44.0 2.1 45.0 6.0 47.0 2.0 49.0 5.6 50.0 49.7 51.0 17.7 52.0 7.5 53.0 5.4 55.0 1.3 57.0 1.2 61.0 2.6 62.0 1.9 63.0 4.2 64.0 3.4 65.0 30.0 66.0 3.7 69.0 1.0 73.0 5.2 74.0 20.7 75.0 14.5 76.0 70.9 77.0 35.6 78.0 4.5 92.0 5.0 93.0 16.7 94.0 4.1 104.0 74.4 105.0 100.0 106.0 7.5 121.0 9.1 122.0 98.0 123.0 8.2 148.0 17.8 149.0 19.7 150.0 1.9 166.0 13.1 167.0 1.4
400 MHz in DMSO-d6
90 MHz in DMSO-06
-
1H NMR 399.65 MHz C8 H6 O4 0.039 g : 0.5 ml DMSO-d6 phthalic acid 
Assign. Shift(ppm)
A 13. B 7.698 C 7.601
Hz ppm Int.3086.24 7.723 68 3085.17 7.720 88 3081.75 7.712 690 3078.33 7.703 755 3075.98 7.697 749 3072.78 7.689 998 3068.50 7.678 144 3045.64 7.621 179 3041.58 7.611 1000 3038.37 7.603 666 3036.02 7.597 732 3032.60 7.589 676 3029.19 7.580 67 3028.12 7.577 57
-
1H NMR 89.56 MHz C8 H6 O4 0.034 g : 0.5 ml DMSO-d6 phthalic acid Assign. Shift(ppm)
A 13. B 7.69 C 7.60
Hz ppm Int.1126.17 12.575 21 695.90 7.771 145 693.16 7.740 99 691.41 7.721 235 688.87 7.692 319 686.43 7.665 1000 683.69 7.634 932 681.25 7.607 291 678.71 7.579 270 676.95 7.559 139 674.22 7.529 190 671.78 7.501 54
KBr disc
nujol mull
4880 A,200 M,powder
TI(III) COMPLEX IN C6H6/C6H5(CH3), S-BAND
TI(III) COMPLEX IN C6H6/(CH3)C6H5, Q-BAND
TI(III) COMPLEX IN C6H6/(CH3)C6H5, X-BAND
