Product NameSEBACIC ACID MONOMETHYL ESTER
CAS818-88-2
Molecular FormulaC11H20O4
Molecular Weight216.27
InChIInChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKey OSYQOBUUFRGFNG-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCC(O)=O

Mass
MS-IW-0817 methyl hydrogen sebacate C11H20O4 (Mass of molecular ion: 216)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.5
18.0 3.4
27.0 3.4
28.0 1.0
29.0 5.9
31.0 1.2
39.0 3.8
41.0 18.3
42.0 4.5
43.0 26.7
44.0 1.5
45.0 3.1
53.0 1.9
54.0 2.2
55.0 51.7
56.0 5.4
57.0 5.2
59.0 19.5
60.0 1.1
67.0 9.4
68.0 4.3
69.0 25.1
70.0 5.0
71.0 2.4
73.0 6.7
74.0 68.8
75.0 4.7
79.0 6.1
80.0 4.6
81.0 11.1
82.0 5.2
83.0 33.5
84.0 50.3
85.0 4.5
87.0 24.8
88.0 3.2
91.0 1.3
93.0 3.8
94.0 4.2
95.0 7.6
96.0 10.7
97.0 49.3
98.0 74.3
99.0 5.7
100.0 1.0
101.0 9.6
102.0 1.0
104.0 1.0
106.0 1.5
107.0 8.1
109.0 3.2
110.0 8.2
111.0 9.9
112.0 7.9
113.0 2.2
114.0 3.3
115.0 8.7
116.0 1.1
119.0 1.8
120.0 4.3
121.0 14.7
122.0 2.7
123.0 2.9
124.0 14.0
125.0 100.0
126.0 9.1
127.0 2.2
129.0 1.5
130.0 1.5
131.0 1.0
137.0 3.2
138.0 47.3
139.0 22.0
140.0 2.3
142.0 3.5
143.0 1.2
144.0 6.4
148.0 8.6
149.0 5.9
151.0 1.3
154.0 1.3
156.0 3.2
157.0 48.9
158.0 5.0
165.0 1.5
166.0 47.5
167.0 8.1
170.0 8.4
171.0 2.8
180.0 1.5
185.0 1.8
198.0 5.4
199.0 58.3
200.0 7.4
231.0 1.6
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C11 H20 O4 | 0.038 g : 0.5 ml CDCl3 |
| methyl hydrogen sebacate | |
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Assign. Shift(ppm) |
Hz ppm Int.
1467.35 3.672 1000
945.69 2.367 90
938.18 2.348 165
929.75 2.327 154
922.06 2.308 197
914.55 2.289 133
657.93 1.647 52
650.97 1.629 91
646.03 1.617 87
644.01 1.612 85
639.07 1.600 54
523.12 1.309 363
in CDCl3

KBr disc

nujol mull

SEBACIC ACID MONOMETHYL ESTER(818-88-2) 13C NMR Atlas of Related Products
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