Product Name1,3-Cyclopentanedione
CAS3859-41-4
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey LOGSONSNCYTHPS-UHFFFAOYSA-N
SmilesC1(=O)CCC(=O)C1

Mass
MS-NW-7251 1,3-cyclopentanedione C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
13.0 1.0
14.0 4.6
15.0 2.5
18.0 1.7
25.0 1.6
26.0 10.6
27.0 20.2
28.0 100.0
29.0 4.3
37.0 2.9
38.0 3.1
39.0 6.7
40.0 2.7
41.0 7.0
42.0 88.8
43.0 10.5
44.0 1.4
49.0 1.3
50.0 2.4
51.0 2.0
52.0 1.3
53.0 2.4
54.0 1.0
55.0 16.2
56.0 42.1
57.0 5.8
69.0 13.2
70.0 10.4
71.0 3.0
97.0 7.4
98.0 83.6
99.0 5.1
parameter in DMSO-d6

| 1H NMR | 300 MHz |
| C5 H6 O2 | 0.039 g : 0.5 ml DMSO-d6 |
| 1,3-cyclopentanedione | |
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Parameter ppm Hz |
Hz ppm Int.
1527.90 5.093 500
714.31 2.381 1000
in DMSO-d6

KBr disc

nujol mull


BTC Nantong Pharmaceuticals Technology Co.,Ltd
Baoji Guokang Healthchem Co., Ltd.
Hefei Hirisun Pharmatech Co., Ltd
HONG KONG IPURE BIOLOGY CO.,LIMITED
Changzhou Ditong Chemical Co.,Ltd
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Amadis Chemical Company Limited
1,3-Cyclopentanedione(3859-41-4) 13C NMR Atlas of Related Products
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