Coumarin 151(53518-15-3) Raman
Product NameCoumarin 151
CAS53518-15-3
Molecular FormulaC10H6F3NO2
Molecular Weight229.16
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
InChIKey JBNOVHJXQSHGRL-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(N)=CC=C2C(C(F)(F)F)=C1
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MassMS-NW-7827 7-amino-4-(trifluoromethyl)coumarin C10H6F3NO2 (Mass of molecular ion: 229)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
28.0 5.0 38.0 1.5 39.0 2.1 40.0 1.8 41.0 2.9 50.0 3.4 51.0 6.2 51.5 1.6 52.0 12.9 53.0 2.0 54.0 1.7 57.0 1.0 61.0 1.5 62.0 3.5 63.0 5.2 64.0 1.1 65.0 1.1 68.0 3.1 69.0 3.2 74.0 1.6 75.0 4.3 75.5 1.5 76.0 4.4 76.5 1.4 77.0 6.9 78.0 2.6 79.0 1.9 80.0 1.3 81.0 1.7 86.0 1.2 86.5 1.9 87.0 1.8 89.0 2.4 91.0 2.0 95.0 1.3 96.0 1.8 99.0 1.2 100.5 9.6 101.0 1.6 102.0 2.1 103.0 2.2 104.0 15.9 105.0 1.6 107.0 1.9 116.0 1.5 122.0 2.0 123.0 1.5 125.0 3.2 126.0 2.4 127.0 2.0 132.0 1.2 145.0 4.6 146.0 3.4 152.0 4.7 153.0 2.6 154.0 1.4 172.0 26.0 173.0 12.5 174.0 1.4 180.0 1.1 182.0 2.6 200.0 2.4 201.0 100.0 202.0 10.3 210.0 4.2 228.0 2.2 229.0 87.2 230.0 10.0 231.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H6 F3 N O2 0.040 g : 0.5 ml DMSO-d6 7-amino-4-(trifluoromethyl)coumarin 
Assign. Shift(ppm)
A 7.369 B 6.680 C 6.56 D 6.535 E 6.438
Hz ppm Int.2950.93 7.384 219 2948.85 7.379 238 2946.78 7.374 110 2942.02 7.362 247 2940.06 7.357 245 2937.99 7.352 98 2675.42 6.695 402 2673.10 6.689 418 2666.50 6.673 390 2664.31 6.667 417 2620.12 6.557 299 2613.04 6.539 1000 2610.84 6.533 888 2602.54 6.513 39 2601.93 6.511 37 2600.22 6.507 31 2599.85 6.506 30 2573.00 6.439 979
in DMSO-d6
KBr disc
nujol mull
