Product Name1,3-DIETHYL-2-THIOBARBITURIC ACID
CAS5217-47-0
Molecular FormulaC8H12N2O2S
Molecular Weight200.26
InChIInChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
SmilesC1(=S)N(CC)C(=O)CC(=O)N1CC

Mass
MS-NW-8124 1,3-diethyl-2-thiobarbituric acid C8H12N2O2S (Mass of molecular ion: 200)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.0
18.0 1.0
27.0 6.7
28.0 6.4
29.0 8.4
30.0 1.5
41.0 2.5
42.0 11.7
43.0 10.0
44.0 27.2
45.0 1.5
54.0 2.6
55.0 3.3
56.0 9.9
57.0 7.5
58.0 7.2
59.0 5.2
60.0 14.6
61.0 1.6
68.0 1.1
69.0 20.1
70.0 13.2
71.0 2.5
72.0 2.2
73.0 2.1
74.0 1.1
75.0 2.3
83.0 4.1
84.0 1.3
85.0 6.0
86.0 12.5
87.0 5.9
88.0 12.9
89.0 8.2
90.0 1.0
95.0 1.4
96.0 1.4
97.0 16.4
98.0 2.7
99.0 4.9
101.0 1.3
102.0 2.3
103.0 4.3
112.0 6.0
113.0 1.1
115.0 1.4
116.0 2.1
129.0 7.8
130.0 5.3
131.0 3.9
139.0 1.2
140.0 3.9
141.0 11.8
142.0 1.0
143.0 6.4
144.0 7.1
157.0 2.3
158.0 4.6
159.0 1.4
167.0 8.8
168.0 2.1
171.0 6.9
172.0 4.2
199.0 30.8
200.0 100.0
201.0 12.0
202.0 5.4

in CDCl3

KBr disc

nujol mull


1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0) MS Atlas of Related Products
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