3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) 13C NMR
Molecular FormulaC9H8O4
Molecular Weight180.16
InChIInChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey ODVLMCWNGKLROU-UHFFFAOYSA-N
SmilesO1C2=CC=C(CC(O)=O)C=C2OC1
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![](https://www.chemicalbook.com/Spectrum/2861-28-1_MS.gif)
Mass
MS-IW-2681
(1,3-benzodioxol-5-yl)acetic acid
C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
18.0 4.1
27.0 1.1
38.0 1.4
39.0 3.0
44.0 1.0
45.0 1.2
50.0 4.2
51.0 13.9
52.0 1.6
53.0 1.9
63.0 1.4
65.0 1.7
67.0 3.2
74.0 1.1
75.0 1.2
76.0 1.9
77.0 20.1
78.0 2.9
79.0 3.7
105.0 7.9
106.0 1.3
134.0 1.0
135.0 100.0
136.0 9.0
179.0 1.5
180.0 38.1
181.0 3.9