芐索氯銨(121-54-0)紅外圖譜(IR2)
分子式:C27H42ClNO2
分子量: 448.08
InChI:InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M
Smiles:C1(C(C)(C)CC(C)(C)C)=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1.[Cl-]
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Mass
MS2002-01207WA
benzethonium chloride
C27H42ClNO2 (Mass of molecular ion: 447)
Source Temperature: 250 °C
Sample Temperature: 35 °C
Direct, 70 eV
29.0 1.6
39.0 1.8
41.0 2.5
42.0 2.2
43.0 1.5
44.0 1.5
56.0 1.0
57.0 4.9
58.0 100.0
59.0 4.0
63.0 1.6
65.0 2.4
72.0 6.4
89.0 2.0
91.0 28.7
92.0 2.3
106.0 1.5
116.0 16.2
117.0 1.5
118.0 1.1
126.0 4.6
128.0 1.5
134.0 20.1
135.0 3.3
161.0 1.1
192.0 1.6
250.0 3.3
320.0 1.0