1,4-萘二甲酸(605-70-9)核磁圖(1HNMR)
InChI:InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
Smiles:C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1
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Mass
MS-IW-7577
1,4-naphthalenedicarboxylic acid
C12H8O4 (Mass of molecular ion: 216)
Source Temperature: 160 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 2.3
50.0 1.0
51.0 1.3
57.0 1.3
57.5 1.3
62.0 1.1
63.0 2.9
71.0 2.0
74.0 1.9
75.0 2.4
76.0 1.5
77.0 2.2
85.0 3.0
85.5 1.3
89.0 1.3
99.0 4.5
114.0 1.8
115.0 13.5
116.0 2.4
125.0 3.3
126.0 4.1
127.0 1.8
142.0 1.1
143.0 7.6
144.0 1.3
153.0 3.4
170.0 5.5
171.0 16.1
172.0 2.5
188.0 1.6
198.0 8.0
199.0 37.5
200.0 5.2
215.0 3.6
216.0 100.0
217.0 13.3
218.0 1.6