METHYL 5-CHLORO-2-METHOXYBENZOATE(33924-48-0) Raman
Product NameMETHYL 5-CHLORO-2-METHOXYBENZOATE
CAS33924-48-0
Molecular FormulaC9H9ClO3
Molecular Weight200.62
InChIInChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey HPTHYBXMNNGQEF-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(Cl)=CC=C1OC
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MassMS-IW-8998 methyl 5-chloro-2-methoxybenzoate C9H9ClO3 (Mass of molecular ion: 200)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.1 28.0 1.5 29.0 1.7 37.0 1.4 38.0 1.3 39.0 1.2 45.0 2.9 50.0 4.1 51.0 3.4 53.0 2.2 59.0 3.3 61.0 2.7 62.0 5.0 63.0 17.7 64.0 1.3 65.0 1.6 72.0 1.1 73.0 2.1 74.0 4.2 75.0 11.9 76.0 3.7 77.0 9.7 78.0 1.5 79.0 1.2 91.0 2.2 93.0 1.0 97.0 1.2 98.0 6.2 99.0 2.0 100.0 2.4 110.0 2.2 111.0 21.2 112.0 2.7 113.0 9.7 114.0 1.1 115.0 1.0 126.0 20.1 127.0 3.1 128.0 6.6 129.0 2.3 133.0 1.2 135.0 1.3 139.0 13.2 140.0 3.8 141.0 7.4 142.0 1.6 143.0 1.1 154.0 7.8 155.0 3.2 156.0 2.8 157.0 1.5 167.0 42.8 168.0 7.8 169.0 100.0 170.0 10.3 171.0 37.3 172.0 3.4 173.0 3.2 183.0 1.2 185.0 2.3 200.0 41.5 201.0 4.5 202.0 13.6 203.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 Cl O3 0.05 ml : 0.5 ml CDCl3 methyl 5-chloro-2-methoxybenzoate 
Assign. Shift(ppm)
A 7.753 B 7.394 C 6.904 D *1 3.883 E *1 3.875
Hz ppm Int.3100.71 7.759 222 3097.90 7.752 236 2961.18 7.410 143 2958.37 7.403 130 2952.27 7.388 155 2949.46 7.381 143 2763.67 6.916 178 2754.76 6.893 167 1551.88 3.884 1000 1548.71 3.876 785
in CDCl3
liquid film
