Ethyl coumarin-3-carboxylate(1846-76-0) IR1
Product NameEthyl coumarin-3-carboxylate
CAS1846-76-0
Molecular FormulaC12H10O4
Molecular Weight218.21
InChIInChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC=CC=C2C=C1C(OCC)=O
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MassMS2017-05458CM ethyl 2-oxo-2H-chromene-3-carboxylate C12H10O4 (Mass of molecular ion: 218)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 1.9 26.0 2.2 27.0 14.0 28.0 2.2 29.0 22.9 37.0 1.3 38.0 2.5 39.0 14.3 43.0 1.8 44.5 1.5 45.0 1.0 50.0 4.8 51.0 7.7 53.0 3.3 61.0 2.4 62.0 10.5 63.0 27.9 64.0 3.4 74.0 2.3 75.0 6.2 76.0 1.2 77.0 3.1 78.0 2.0 86.0 1.9 87.0 2.9 88.0 3.7 89.0 44.6 90.0 11.5 91.0 1.3 101.0 16.8 102.0 2.6 105.0 1.2 116.0 2.7 117.0 1.2 118.0 24.4 119.0 2.2 130.0 1.9 131.0 1.1 144.0 2.8 145.0 11.6 146.0 100.0 147.0 10.1 162.0 4.7 173.0 88.4 174.0 15.4 175.0 1.9 190.0 2.8 218.0 36.9 219.0 9.0 220.0 1.2
KBr disc
Nujol
