| SpectraBase Spectrum ID |
ERBIw6Bc9Ua |
| Name |
2-(3',3'-Bis(ethylsulfanyl)-2'-trifluoromethylallyl)nicotinic acid |
| Alternate Name(s) |
2-[3,3-bis(ethylsulfanyl)-2-(trifluoromethyl)-2-propenyl]nicotinic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16F3NO2S2 |
| InChI |
InChI=1S/C14H16F3NO2S2/c1-3-21-13(22-4-2)10(14(15,16)17)8-11-9(12(19)20)6-5-7-18-11/h5-7H,3-4,8H2,1-2H3,(H,19,20) |
| InChIKey |
DMJKAJHFTQAWSB-UHFFFAOYSA-N |
| Molecular Weight |
351.402 g/mol |
| SMILES |
OC(c1c(CC(C(F)(F)F)=C(SCC)SCC)nccc1)=O |
| SPLASH |
splash10-054o-5090000000-7f8226b4d656b2acfdea |
| Source of Spectrum |
KC-61-4400-8 |
| Wiley ID |
1628994 |
