Molecular FormulaC5H5N5
Molecular Weight135.13
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey GFFGJBXGBJISGV-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2N)NC=1
Mass
MS-NW-8155 adenine C5H5N5 (Mass of molecular ion: 135)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 2.0 18.0 12.0 27.0 2.2 28.0 21.8 29.0 5.3 38.0 2.1 39.0 2.3 40.0 1.9 43.0 5.3 53.0 7.4 54.0 13.7 55.0 2.4 56.0 2.1 65.0 2.1 66.0 7.1 67.0 2.3 70.0 4.0 80.0 3.7 81.0 12.2 92.0 1.7 107.0 2.1 108.0 32.0 109.0 1.9 119.0 1.1 134.0 2.7 135.0 100.0 136.0 7.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H5 N5 | 0.034 g : 0.5 ml CDCl3 |
adenine |
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Assign. Shift(ppm) |
Hz ppm Int.
728.88 8.139 1000 726.66 8.114 903 723.75 8.082 76 723.33 8.077 75 721.11 8.052 51 719.65 8.036 38 635.23 7.093 304
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
Jiangxi Alpha Hi-tech Pharmaceutical Co., Ltd
XINGTAI XINGJIU NEW MATERIAL TECHNOLOGY CO., LTD
Shanghai Bojing Chemical Co.,Ltd.
Hangzhou Measure Life Technology Co., LTD
Guangzhou Tosun Pharmaceutical Limited
Wuhan Fortuna Chemical Co., Ltd
Frapp's ChemicalNFTZ Co., Ltd.
Adenine(73-24-5) IR1 Atlas of Related Products
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