3-Methylcyclopentanone(1757-42-2) IR1
Product Name3-Methylcyclopentanone
CAS1757-42-2
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
InChIKey AOKRXIIIYJGNNU-UHFFFAOYSA-N
SmilesC1(=O)CCC(C)C1
-
MassMS-NW-5634 (+-)-3-methylcyclopentanone C6H10O (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.2 15.0 3.0 18.0 1.9 26.0 5.3 27.0 28.1 28.0 43.7 29.0 15.8 37.0 1.9 38.0 4.1 39.0 30.3 40.0 8.2 41.0 63.9 42.0 91.3 43.0 7.1 50.0 2.8 51.0 3.3 52.0 1.3 53.0 6.1 54.0 2.9 55.0 71.4 56.0 46.5 57.0 2.9 67.0 1.5 69.0 100.0 70.0 11.1 71.0 1.0 83.0 10.8 97.0 1.2 98.0 73.7 99.0 5.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H10 O 0.05 ml : 0.5 ml CDCl3 (+-)-3-methylcyclopentanone 
Assign. Shift(ppm)
A 2.35 B 2.31 C 2.27 D 2.17 E 2.13 F 1.783 G 1.520 J 1.135 ASSIGNED BY H-H COSY
Hz ppm Int.934.45 2.339 124 932.74 2.334 116 915.16 2.290 104 914.43 2.289 120 913.57 2.286 113 907.59 2.271 104 872.92 2.185 122 866.82 2.169 146 865.36 2.166 178 858.28 2.148 116 857.91 2.147 117 856.81 2.144 150 851.93 2.132 106 607.30 1.520 139 456.54 1.143 912 454.10 1.137 87 450.07 1.127 1000 447.63 1.121 77 443.73 1.111 26
in CDCl3
liquid film
4880 A,200 M,liquid
