4-Chlorosalicylic acid(5106-98-9) 1H NMR
Product Name4-Chlorosalicylic acid
CAS5106-98-9
Molecular FormulaC7H5ClO3
Molecular Weight172.57
InChIInChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey LWXFCZXRFBUOOR-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(Cl)C=C1O
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MassMS-IW-4115 4-chlorosalicylic acid C7H5ClO3 (Mass of molecular ion: 172)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 1.0 37.0 1.7 38.0 2.8 39.0 3.9 45.0 2.6 49.0 2.1 50.0 2.0 51.0 1.9 53.0 5.1 54.0 1.0 61.0 3.1 62.0 5.8 63.0 21.1 64.0 3.2 68.0 1.0 72.0 1.4 73.0 5.3 74.0 1.6 75.0 2.2 77.0 2.7 91.0 2.6 98.0 11.7 99.0 6.0 100.0 4.2 101.0 1.9 126.0 43.5 127.0 4.9 128.0 14.7 129.0 1.5 139.0 1.1 154.0 100.0 155.0 11.2 156.0 34.0 157.0 3.7 172.0 48.9 173.0 3.9 174.0 15.9 175.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Cl O3 0.041 g : 0.5 ml DMSO-d6 4-chlorosalicylic acid 
Assign. Shift(ppm)
A 11. B 7.808 C 7.074 D 6.992
Hz ppm Int.3129.19 7.830 23 3125.13 7.820 858 3121.07 7.810 39 3116.58 7.799 896 3112.52 7.789 25 2828.32 7.077 854 2826.19 7.072 1000 2799.69 7.006 625 2797.55 7.001 555 2793.71 6.991 37 2791.14 6.984 591 2789.00 6.979 519
in DMSO-d6
KBr disc
nujol mull
