ETHYL PHTHALATE MONO(2306-33-4) MS
Product NameETHYL PHTHALATE MONO
CAS2306-33-4
Molecular FormulaC10H10O4
Molecular Weight194.18
InChIInChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKey YWWHKOHZGJFMIE-UHFFFAOYSA-N
SmilesC1(C(OCC)=O)=CC=CC=C1C(O)=O
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MassMS-NW-5813 ethyl hydrogen phthalate C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.3 15.0 3.3 18.0 2.9 19.0 1.6 26.0 3.7 27.0 12.1 28.0 3.2 29.0 7.9 30.0 2.3 31.0 43.9 36.0 1.1 37.0 8.3 37.5 2.6 38.0 11.2 39.0 6.1 42.0 1.5 43.0 4.9 44.0 3.9 45.0 22.2 46.0 8.6 49.0 4.6 50.0 39.5 51.0 5.5 52.0 4.4 53.0 2.1 61.0 1.8 62.0 1.1 63.0 1.5 64.0 1.2 65.0 12.6 66.0 1.5 73.0 3.8 74.0 13.5 75.0 9.8 76.0 77.2 77.0 9.8 78.0 1.0 91.0 1.0 92.0 1.0 93.0 8.0 104.0 100.0 105.0 27.6 106.0 4.5 121.0 6.8 122.0 11.9 123.0 1.1 132.0 1.5 135.0 1.3 148.0 17.1 149.0 78.0 150.0 14.8 151.0 1.8 176.0 4.9 177.0 5.5 178.0 1.4 194.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H10 O4 0.043 g : 0.5 ml CDCl3 ethyl hydrogen phthalate 
Assign. Shift(ppm)
A 12.1 B 7.89 C 7.65 to 7.57 D 4.393 E 1.369
Hz ppm Int.1085.29 12.119 354 712.82 7.960 66 712.05 7.951 92 710.08 7.929 74 707.52 7.900 137 706.58 7.890 81 703.85 7.859 112 703.16 7.852 128 700.00 7.816 39 695.98 7.772 30 695.21 7.763 32 692.31 7.731 47 691.11 7.717 90 688.46 7.688 132 686.33 7.664 245 685.56 7.655 168 684.02 7.638 92 683.51 7.632 83 681.97 7.615 274 681.12 7.606 279 679.32 7.586 179 677.10 7.561 124 676.33 7.552 102 674.88 7.536 135 672.49 7.509 99 671.97 7.504 111 667.96 7.459 32 404.52 4.517 110 397.34 4.437 412 390.16 4.357 440 383.07 4.278 127 129.63 1.448 456 122.53 1.369 1000 115.36 1.289 407
in CDCl3
liquid film
4880 A,200 M,liquid
