2-Methyl-4-chlorophenoxyacetic acid(94-74-6) MS
Product Name2-Methyl-4-chlorophenoxyacetic acid
CAS94-74-6
Molecular FormulaC9H9ClO3
Molecular Weight200.62
InChIInChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey WHKUVVPPKQRRBV-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=CC=C(Cl)C=C1C
-
MassMS-NW-2298 (4-chloro-2-methylphenoxy)acetic acid C9H9ClO3 (Mass of molecular ion: 200)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.5 27.0 2.2 28.0 2.3 29.0 2.1 31.0 4.4 37.0 1.0 38.0 2.3 39.0 7.8 42.0 2.0 45.0 2.5 50.0 6.1 51.0 16.5 52.0 4.2 53.0 1.5 60.0 2.4 61.0 1.5 62.0 3.6 63.0 10.9 64.0 1.9 65.0 2.8 73.0 4.2 74.0 2.4 75.0 4.0 76.0 1.3 77.0 51.8 78.0 10.1 79.0 2.2 86.0 1.0 87.0 1.5 89.0 16.8 90.0 5.1 91.0 7.9 99.0 5.5 101.0 2.0 105.0 1.2 106.0 1.7 107.0 15.1 108.0 1.5 112.0 3.6 113.0 10.5 114.0 1.8 115.0 3.5 125.0 31.9 126.0 4.2 127.0 12.9 128.0 1.6 140.0 1.4 141.0 100.0 142.0 31.7 143.0 33.8 144.0 10.5 154.0 4.3 155.0 29.1 156.0 5.5 157.0 10.0 158.0 1.5 165.0 1.2 182.0 1.2 200.0 96.0 201.0 10.0 202.0 31.8 203.0 3.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H9 Cl O3 0.044 g : 0.5 ml CDCl3 (4-chloro-2-methylphenoxy)acetic acid 
Assign. Shift(ppm)
A 10.69 B 7.14 C 7.13 D 6.64 E 4.667 F 2.251
Hz ppm Int.957.70 10.694 194 639.76 7.144 311 639.13 7.137 334 638.49 7.130 218 637.70 7.121 133 632.23 7.060 123 631.67 7.054 122 629.61 7.031 79 628.97 7.023 76 598.27 6.681 129 596.84 6.665 92 590.41 6.593 54 589.30 6.580 89 417.99 4.668 1000 201.62 2.252 946
in CDCl3
CCl4 solution
KBr disc
nujol mull
