芥子酸(530-59-6)紅外圖譜(IR2)
InChI:InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)
InChIKey: PCMORTLOPMLEFB-UHFFFAOYSA-N
Smiles:C(O)(=O)C=CC1=CC(OC)=C(O)C(OC)=C1
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Mass
MS-NW-6348
4-hydroxy-3,5-dimethoxycinnamic acid
C11H12O5 (Mass of molecular ion: 224)
Source Temperature: 190 °C
Sample Temperature: 80 °C
Direct, 75 eV
15.0 2.2
29.0 1.1
38.0 1.2
39.0 3.6
43.0 1.0
45.0 1.6
50.0 2.6
51.0 4.3
52.0 1.2
53.0 3.8
55.0 1.4
62.0 1.2
63.0 3.0
64.0 1.5
65.0 5.9
66.0 1.4
67.0 1.0
69.0 3.3
75.0 1.3
76.0 1.7
77.0 4.1
78.0 1.4
79.0 2.6
81.0 2.6
82.0 1.1
89.0 1.1
91.0 3.3
92.0 2.0
93.0 3.5
94.0 1.1
105.0 2.4
107.0 2.0
109.0 1.1
110.0 1.3
119.0 2.1
120.0 2.0
121.0 6.7
122.0 1.3
125.0 1.2
133.0 2.2
134.0 1.3
135.0 4.1
137.0 1.9
139.0 1.0
147.0 1.4
149.0 4.8
150.0 1.0
153.0 1.6
163.0 4.8
164.0 1.2
165.0 1.1
175.0 1.4
177.0 2.6
178.0 2.5
179.0 1.9
180.0 2.7
181.0 4.7
207.0 2.1
209.0 10.4
210.0 1.5
223.0 2.2
224.0 100.0
225.0 11.7
226.0 2.1