松香酸(514-10-3)核磁圖(13CNMR)
InChI:InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N
Smiles:[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)([C@]3([H])C(=CC2)C=C(C(C)C)CC3)CCC1
-
Mass
MS-IW-7219
abietic acid
C20H30O2 (Mass of molecular ion: 302)
Source Temperature: 170 °C
Sample Temperature: 150 °C
Direct, 75 eV
17.0 2.1
18.0 10.3
27.0 3.4
28.0 6.3
29.0 4.4
39.0 4.1
41.0 17.6
42.0 1.5
43.0 16.9
44.0 3.2
45.0 1.5
51.0 1.4
53.0 4.5
55.0 12.9
56.0 1.0
57.0 2.4
65.0 3.6
67.0 9.3
69.0 7.3
71.0 1.6
76.0 1.0
77.0 9.4
78.0 3.1
79.0 13.2
80.0 2.1
81.0 13.6
82.0 1.7
83.0 3.0
85.0 1.1
86.0 1.0
87.0 1.6
89.0 1.5
91.0 27.9
92.0 11.0
93.0 19.4
94.0 2.6
95.0 9.0
96.0 1.5
97.0 3.2
99.0 1.0
100.0 1.1
103.0 2.9
104.0 2.8
105.0 31.2
106.0 5.8
107.0 11.3
108.0 3.0
109.0 13.5
110.0 2.3
111.0 1.5
113.0 1.0
115.0 8.9
116.0 3.1
117.0 14.7
118.0 3.2
119.0 13.6
120.0 3.3
121.0 18.4
122.0 4.2
123.0 7.6
125.0 1.2
127.0 2.7
128.0 8.3
128.5 2.2
129.0 12.4
130.0 3.8
131.0 33.1
132.0 5.8
133.0 16.5
134.0 11.9
135.0 27.4
136.0 46.0
137.0 6.4
139.0 4.4
141.0 8.1
142.0 4.9
143.0 14.8
144.0 3.7
145.0 11.7
146.0 6.5
147.0 8.4
148.0 14.1
149.0 10.3
150.0 2.3
151.0 2.3
152.0 2.5
153.0 3.8
154.0 2.3
155.0 7.6
156.0 3.0
157.0 16.7
158.0 3.9
159.0 10.0
160.0 3.5
161.0 3.8
162.0 2.1
165.0 3.9
166.0 1.9
167.0 6.0
168.0 2.0
169.0 5.1
170.0 1.9
171.0 7.7
172.0 2.9
173.0 6.9
174.0 2.0
175.0 2.1
178.0 2.5
179.0 3.0
180.0 1.3
181.0 3.2
182.0 1.5
183.0 6.3
184.0 2.1
185.0 14.2
186.0 4.0
187.0 9.3
188.0 3.1
189.0 1.9
191.0 1.4
192.0 1.1
193.0 2.7
194.0 1.0
195.0 3.4
196.0 1.4
197.0 6.8
198.0 2.8
199.0 5.8
200.0 2.2
201.0 5.8
202.0 2.1
203.0 1.6
205.0 1.2
207.0 1.5
209.0 1.9
211.0 3.7
212.0 1.8
213.0 28.1
214.0 6.3
215.0 3.0
216.0 1.0
217.0 1.0
218.0 1.0
219.0 1.0
223.0 2.5
224.0 1.0
225.0 2.7
226.0 1.1
227.0 1.5
228.0 1.0
231.0 1.3
233.0 1.3
235.0 1.7
237.0 3.9
238.0 1.4
239.0 12.9
240.0 3.6
241.0 33.6
242.0 7.1
243.0 4.2
248.0 1.6
250.0 2.0
251.0 1.0
252.0 4.3
253.0 1.4
254.0 10.7
255.0 4.0
256.0 26.5
257.0 9.9
258.0 4.6
259.0 40.4
260.0 7.7
261.0 1.0
285.0 4.2
286.0 1.0
287.0 24.8
288.0 5.1
298.0 1.6
300.0 2.7
301.0 1.5
302.0 100.0
303.0 22.7
304.0 2.8