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

Mass
MS-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 | |
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Assign. Shift(ppm) |
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

3-Methylcyclopentanone(1757-42-2) MS Atlas of Related Products