鄰苯二甲酸單甲酯(4376-18-5)核磁圖(1HNMR)
InChI:InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey: FNJSWIPFHMKRAT-UHFFFAOYSA-N
Smiles:C1(C(OC)=O)=CC=CC=C1C(O)=O
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Mass
MS-IW-6836
methyl hydrogen phthalate
C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 140 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 2.6
18.0 1.8
28.0 2.5
29.0 5.3
31.0 12.5
32.0 9.8
37.0 3.8
37.5 1.6
38.0 7.1
39.0 6.9
49.0 2.1
50.0 22.8
51.0 5.8
52.0 5.0
53.0 2.0
63.0 1.6
64.0 1.8
65.0 17.3
66.0 2.1
73.0 2.1
74.0 8.9
75.0 6.9
76.0 39.9
77.0 11.6
91.0 7.0
92.0 16.1
93.0 19.1
94.0 1.3
104.0 40.7
105.0 21.1
106.0 2.5
118.0 1.3
121.0 16.7
122.0 1.8
135.0 8.6
136.0 23.0
137.0 2.0
148.0 31.0
149.0 100.0
150.0 8.8
163.0 3.3
180.0 6.8