二氢咖啡酸(1078-61-1)核磁图(1HNMR)
InChI:InChI=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
Smiles:C1(CCC(O)=O)=CC=C(O)C(O)=C1
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Mass
MS-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