| SpectraBase Spectrum ID |
BIYtMjpUGfd |
| Name |
(E)-1-Ethyl 6-methyl 2-cyano-4,4-dimethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16F3NO5 |
| InChI |
InChI=1S/C13H16F3NO5/c1-5-22-9(18)8(7-17)6-11(2,3)12(20,10(19)21-4)13(14,15)16/h6,20H,5H2,1-4H3/b8-6+ |
| InChIKey |
JGDASZGSFWXJSN-SOFGYWHQSA-N |
| Molecular Weight |
323.268 g/mol |
| SMILES |
OC(C(\C=C\(C(=O)OCC)C#N)(C)C)(C(F)(F)F)C(=O)OC |
| SPLASH |
splash10-0006-9001000000-32385d10fc164aab5f25 |
| Source of Spectrum |
F-65-85-2d |
| Wiley ID |
1682084 |
