Product Name6-Chloropurine
CAS87-42-3
Molecular FormulaC5H3ClN4
Molecular Weight154.56
InChIInChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey ZKBQDFAWXLTYKS-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2Cl)NC=1
Mass
MS-IW-5629 6-chloropurine C5H3ClN4 (Mass of molecular ion: 154)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
28.0 5.8 38.0 3.7 39.0 2.1 53.0 1.8 64.0 1.6 65.0 5.4 66.0 1.5 67.0 1.6 73.0 2.1 74.0 1.5 77.0 1.0 86.0 2.1 91.0 1.1 92.0 11.1 99.0 1.2 100.0 4.0 102.0 1.3 118.0 1.0 119.0 48.6 120.0 3.4 126.0 1.0 154.0 100.0 155.0 7.3 156.0 32.6 157.0 2.4
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C5 H3 Cl N4 | 0.031 g : 0.5 ml DMSO-d6 |
6-chloropurine |
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Assign. Shift(ppm) |
Hz ppm Int.
3522.03 8.813 29 3511.35 8.787 1000 3505.10 8.771 66 3501.74 8.763 59 3493.35 8.742 752 3483.89 8.718 32
in CDCl3
KBr disc
nujol mull
6-Chloropurine(87-42-3) Raman Atlas of Related Products
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