Coumarin 120(26093-31-2) MS
Product NameCoumarin 120
CAS26093-31-2
Molecular FormulaC10H9NO2
Molecular Weight175.18
InChIInChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
InChIKey GLNDAGDHSLMOKX-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(N)=CC=C2C(C)=C1
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MassMS-NW-2029 7-amino-4-methyl-2-chromenone C10H9NO2 (Mass of molecular ion: 175)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.6 27.0 1.5 28.0 3.1 38.0 1.4 39.0 5.0 40.0 1.3 41.0 2.4 46.5 1.5 50.0 2.4 51.0 5.2 52.0 4.6 53.0 1.5 54.0 1.3 58.5 5.1 59.0 1.0 59.5 1.2 62.0 1.5 63.0 3.0 64.0 1.1 65.0 4.7 66.0 1.1 68.0 1.3 73.0 2.7 73.5 5.9 74.0 1.4 75.0 1.1 76.0 1.4 77.0 3.8 78.0 2.6 79.0 1.3 80.0 1.1 89.0 2.1 90.0 1.5 91.0 7.4 92.0 1.5 93.0 1.6 102.0 1.0 103.0 1.0 104.0 3.3 116.0 1.0 117.0 4.1 118.0 14.3 119.0 24.8 120.0 2.3 146.0 15.5 147.0 81.1 148.0 8.4 174.0 1.6 175.0 100.0 176.0 11.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H9 N O2 0.043 g : 0.5 ml CDCl3 7-amino-4-methyl-2-chromenone 
Assign. Shift(ppm)
A 7.36 B 6.58 C 6.58 D 6.02 E 4.1 F 2.348
Hz ppm Int.664.00 7.415 187 660.13 7.371 46 654.81 7.312 237 594.25 6.636 84 591.88 6.609 286 590.25 6.591 351 588.13 6.567 292 585.06 6.533 218 582.75 6.507 85 539.44 6.024 211 538.31 6.011 209 537.25 5.999 84 212.56 2.374 48 210.88 2.355 985 209.69 2.342 1000 207.06 2.312 43
in CDCl3
KBr disc
