| SpectraBase Spectrum ID |
AqF3NoPTnGe |
| Name |
2-((2-(5-bromothiophen-2-yl)-2-oxoethyl)thio)-4,6-dimethyl-nicotinonitrile |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11BrN2OS2 |
| InChI |
InChI=1S/C14H11BrN2OS2/c1-8-5-9(2)17-14(10(8)6-16)19-7-11(18)12-3-4-13(15)20-12/h3-5H,7H2,1-2H3 |
| InChIKey |
UBNXPQRLGPMRLX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-MS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4122 |
| Molecular Weight |
367.279 g/mol |
| SMILES |
c1cc(sc1Br)C(CSc1c(c(cc(n1)C)C)C#N)=O |
| SPLASH |
splash10-004i-0900000000-c2842c2fb9c5320bc86d |
| Source of Spectrum |
Y-57-4162-27 |
| Wiley ID |
1859935 |
