邻苯二甲酸二庚酯(支链异构体类的混合物)(41451-28-9)质谱(MS)
InChI:InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
InChIKey: RKELNIPLHQEBJO-UHFFFAOYSA-N
Smiles:C1(=CC=CC=C1C(=O)OCCCCC(C)C)C(=O)OCCCCC(C)C
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Mass
MS-IW-6338
diisoheptyl phthalate
C22H34O4 (Mass of molecular ion: 362)
Source Temperature: 130 °C
Sample Temperature: 100 °C
Direct, 75 eV
29.0 2.4
41.0 7.5
42.0 1.1
43.0 10.1
55.0 7.6
56.0 5.6
57.0 32.1
58.0 1.4
65.0 1.1
69.0 6.3
70.0 5.5
71.0 1.1
76.0 2.1
83.0 2.3
93.0 1.4
98.0 5.9
99.0 22.1
100.0 1.6
104.0 3.0
105.0 1.4
121.0 1.5
122.0 1.2
123.0 1.0
149.0 100.0
150.0 9.9
151.0 1.1
167.0 10.0
247.0 5.9
248.0 2.0
265.0 51.9
266.0 8.7
267.0 1.1
362.0 3.0
363.0 1.6