2-Methoxycyclohexanone(7429-44-9) 1H NMR
Product Name2-Methoxycyclohexanone
CAS7429-44-9
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey JYJURPHZXCLFDX-UHFFFAOYSA-N
SmilesC1(=O)CCCCC1OC
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MassMS-IW-1310 2-methoxycyclohexanone C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.6 27.0 6.0 28.0 3.7 29.0 7.0 31.0 1.2 39.0 6.7 40.0 1.5 41.0 26.1 42.0 5.4 43.0 4.7 45.0 6.4 53.0 1.9 55.0 4.8 57.0 5.0 58.0 11.6 67.0 4.1 68.0 3.7 69.0 3.1 70.0 1.0 71.0 100.0 72.0 7.9 84.0 42.5 85.0 4.7 98.0 22.3 99.0 2.2 100.0 2.0 128.0 11.6 129.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O2 0.05 ml : 0.5 ml CDCl3 2-methoxycyclohexanone 
Assign. Shift(ppm)
A 3.741 B 3.420 C 2.500 D 2.32 E 2.24 F 1.96 G 1.71 to 1.68 ASSIGNED BY C-H COSY.
Hz ppm Int.1504.88 3.766 37 1503.66 3.763 41 1497.92 3.749 64 1494.87 3.741 53 1493.53 3.738 51 1489.14 3.727 62 1488.04 3.724 62 1366.82 3.421 1000 940.92 2.355 33 936.77 2.344 41 935.42 2.341 39 930.66 2.329 47 929.32 2.326 41 927.61 2.322 30 925.29 2.316 47 924.44 2.314 41 923.71 2.312 40 922.12 2.308 33 917.36 2.296 30 910.64 2.279 32 903.08 2.260 42 901.00 2.255 36 898.80 2.249 31 897.83 2.247 36 896.48 2.244 48 895.51 2.241 41 893.68 2.237 56 891.48 2.231 46 888.31 2.223 36
in CDCl3
liquid film
