Dihydrocaffeic acid(1078-61-1) IR1
Product NameDihydrocaffeic acid
CAS1078-61-1
Molecular FormulaC9H10O4
Molecular Weight182.17
InChIInChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-N
SmilesC1(CCC(O)=O)=CC=C(O)C(O)=C1
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MassMS-NW-6408 3-(3,4-dihydroxyphenyl)propionic acid C9H10O4 (Mass of molecular ion: 182)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 3.5 27.0 2.9 28.0 1.4 29.0 1.1 39.0 4.3 41.0 1.2 43.0 1.1 44.0 1.5 45.0 1.4 50.0 1.7 51.0 6.3 52.0 1.5 53.0 2.1 55.0 2.5 63.0 2.4 64.0 1.2 65.0 3.4 66.0 1.2 77.0 9.7 78.0 1.2 79.0 2.3 81.0 1.0 89.0 2.4 90.0 1.2 91.0 5.1 94.0 1.5 105.0 2.3 107.0 2.5 110.0 2.2 119.0 1.7 122.0 2.0 123.0 100.0 124.0 7.8 135.0 2.5 136.0 10.2 137.0 3.1 182.0 34.2 183.0 3.5
KBr disc
nujol mull
