| SpectraBase Spectrum ID |
4aw4xg5T6WT |
| Name |
(E)-1-Ethyl 6-methyl 2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16F3NO5 |
| InChI |
InChI=1S/C13H16F3NO5/c1-4-9(6-8(7-17)10(18)22-5-2)12(20,11(19)21-3)13(14,15)16/h6,9,20H,4-5H2,1-3H3/b8-6+ |
| InChIKey |
NTVMHPAFHQDXQM-SOFGYWHQSA-N |
| Molecular Weight |
323.268 g/mol |
| SMILES |
OC(C(F)(F)F)(C(\C=C\(C(=O)OCC)C#N)CC)C(=O)OC |
| SPLASH |
splash10-000i-0900000000-37e28dbd72c6a6734734 |
| Source of Spectrum |
F-65-85-2a |
| Synonyms |
(E)-1-Ethyl 6-methyl 2-cyano-4-ethyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate isomer |
| Wiley ID |
1682089 |
