丁酸-3-苯丙酯
产品名称
丁酸-3-苯丙酯
CAS号7402-29-1
分子式C13H18O2
分子量206.28
InChIInChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyIWBHCESPSIQPME-UHFFFAOYSA-N
SmilesC(OCCCC1=CC=CC=C1)(=O)CCC
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Mass
MS-NW-0708
3-phenylpropyl butyrate
C13H18O2 (Mass of molecular ion: 206)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 1.0
27.0 5.5
28.0 4.0
29.0 1.8
39.0 4.7
41.0 9.0
42.0 2.6
43.0 19.2
51.0 2.6
55.0 1.0
56.0 2.4
57.0 2.3
63.0 1.2
65.0 4.6
71.0 9.7
77.0 3.5
78.0 2.8
79.0 1.7
89.0 1.2
91.0 25.2
92.0 3.2
103.0 2.7
104.0 1.5
105.0 3.1
115.0 2.1
116.0 1.6
117.0 52.7
118.0 100.0
119.0 10.6
丁酸-3-苯丙酯(7402-29-1)红外图谱(IR2) 相关产品图谱