Product Name3-Methyl-1,2-cyclopentanedione
CAS765-70-8
Molecular FormulaC6H8O2
Molecular Weight112.13
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
InChIKey OACYKCIZDVVNJL-UHFFFAOYSA-N
SmilesC1(=O)CCC(C)C1=O
Mass
MS-NW-1239 2-hydroxy-3-methyl-2-cyclopenten-1-one C6H8O2 (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.6 18.0 1.5 26.0 4.9 27.0 21.0 28.0 6.4 29.0 8.6 31.0 1.9 37.0 1.7 38.0 3.1 39.0 18.5 40.0 5.1 41.0 41.8 42.0 8.0 43.0 28.1 44.0 4.6 45.0 1.1 50.0 3.3 51.0 3.5 52.0 1.7 53.0 5.1 54.0 3.0 55.0 27.6 56.0 18.0 57.0 4.0 65.0 3.3 66.0 6.4 67.0 1.5 69.0 43.3 70.0 5.2 71.0 2.5 82.0 1.1 83.0 22.9 84.0 21.8 85.0 1.3 97.0 6.5 111.0 4.6 112.0 100.0 113.0 7.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H8 O2 | 0.046 g : 0.5 ml CDCl3 |
2-hydroxy-3-methyl-2-cyclopenten-1-one |
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Assign. Shift(ppm) |
Hz ppm Int.
599.38 6.693 77 219.88 2.456 28 218.69 2.442 135 217.56 2.430 1000 212.19 2.370 25 181.44 2.026 370 180.94 2.021 760 180.38 2.015 369
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
3-Methyl-1,2-cyclopentanedione(765-70-8) IR1 Atlas of Related Products
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