Product Name3-CHLORO-7-HYDROXY-4-METHYLCOUMARIN
CAS6174-86-3
Molecular FormulaC10H7ClO3
Molecular Weight210.61
InChI
InChIKey
Smiles
Mass
MS-NW-7816 3-chloro-7-hydroxy-4-methylcoumarin C10H7ClO3 (Mass of molecular ion: 210)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 3.5 27.0 2.2 28.0 2.5 29.0 1.3 36.0 1.1 38.0 3.3 39.0 7.4 41.0 1.3 42.0 1.0 43.0 1.6 44.0 1.1 44.5 1.4 45.0 2.2 50.0 5.2 51.0 9.9 52.0 1.8 53.0 2.9 55.0 1.7 59.0 7.3 59.5 1.1 61.0 1.7 62.0 3.8 63.0 9.1 64.0 3.1 65.0 10.2 66.0 1.0 67.0 1.1 68.0 1.1 69.0 7.7 70.0 1.2 73.0 2.3 73.5 2.4 74.0 3.6 75.0 5.3 76.0 1.7 77.0 5.7 79.0 1.4 85.0 1.3 86.0 1.0 87.0 1.6 89.0 11.0 90.0 3.7 90.5 1.3 91.0 14.7 91.5 1.4 92.0 3.0 99.0 1.8 101.0 2.1 102.0 1.2 105.0 1.2 118.0 4.5 119.0 24.5 120.0 2.1 125.0 3.2 127.0 1.2 131.0 3.1 137.0 1.9 147.0 28.1 148.0 3.7 153.0 3.6 154.0 24.2 155.0 3.3 156.0 8.0 168.0 1.0 175.0 5.4 176.0 1.4 181.0 5.6 182.0 41.8 183.0 6.3 184.0 15.0 185.0 1.5 209.0 1.4 210.0 100.0 211.0 11.6 212.0 32.7 213.0 3.9
parameter in DMSO-d6
1H NMR | 300 MHz |
C10 H7 Cl O3 | 0.044 g : 0.5 ml DMSO-d6 |
3-chloro-7-hydroxy-4-methylcoumarin |
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Parameter ppm Hz |
Hz ppm Int.
3194.96 10.650 96 2294.29 7.648 161 2285.69 7.619 173 2056.89 6.856 86 2054.62 6.849 96 2048.13 6.827 79 2045.95 6.820 90 2016.83 6.723 185 2014.56 6.715 164 744.31 2.481 1000
in DMSO-d6
KBr disc
nujol mull
3-CHLORO-7-HYDROXY-4-METHYLCOUMARIN(6174-86-3) 1H NMR Atlas of Related Products
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