4-Chlororesorcinol(95-88-5) MS
Product Name4-Chlororesorcinol
CAS95-88-5
Molecular FormulaC6H5ClO2
Molecular Weight144.56
InChIInChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKey JQVAPEJNIZULEK-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C(O)=C1
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MassMS-NW-1188 4-chlororesorcinol C6H5ClO2 (Mass of molecular ion: 144)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.3 26.0 3.5 27.0 5.8 28.0 5.3 29.0 4.8 32.0 1.0 36.0 1.2 37.0 5.3 38.0 5.9 39.0 6.5 40.0 1.5 41.0 2.2 42.0 2.4 43.0 3.4 47.0 1.1 49.0 2.5 50.0 8.3 51.0 26.7 52.0 36.5 53.0 13.7 54.0 3.4 55.0 3.6 60.0 1.2 61.0 4.2 62.0 4.8 63.0 9.2 64.0 1.2 65.0 1.1 66.0 1.6 67.0 1.0 69.0 19.3 72.0 4.8 73.0 4.3 74.0 1.5 75.0 1.5 77.0 1.0 79.0 5.7 80.0 21.5 81.0 44.4 82.0 2.7 87.0 3.0 88.0 1.3 89.0 1.7 98.0 1.7 102.0 1.0 109.0 2.2 110.0 1.0 115.0 6.6 116.0 2.5 117.0 2.1 144.0 100.0 145.0 7.1 146.0 32.4 147.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl O2 0.041 g : 0.5 ml CDCl3 4-chlororesorcinol 
Assign. Shift(ppm)
A 7.138 B 6.53 C 6.38 D *1 5.56 E *1 5.02 J(A,C)=8.6HZ
Hz ppm Int.646.50 7.219 124 644.00 7.191 732 635.50 7.096 912 586.31 6.547 688 583.63 6.517 1000 578.94 6.465 152 578.56 6.461 158 576.31 6.435 620 573.44 6.403 449 570.50 6.371 135 570.13 6.366 136 567.69 6.339 458 564.88 6.308 366 497.81 5.559 904 449.75 5.022 299
in CDCl3
KBr disc
nujol mull
