| SpectraBase Spectrum ID |
4XHJr9Zb37l |
| Name |
(E)-1-Ethyl 6-methyl 2-cyano-4-methyl-5-hydroxy-5-(trifluoromethyl)hex-2-enedioate isomer |
| Alternate Name(s) |
(E)-1-Ethyl 6-methyl 2-cyano-4-methyl-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 |
C12H14F3NO5 |
| InChI |
InChI=1S/C12H14F3NO5/c1-4-21-9(17)8(6-16)5-7(2)11(19,10(18)20-3)12(13,14)15/h5,7,19H,4H2,1-3H3/b8-5+ |
| InChIKey |
PSURSRFVONFHFD-VMPITWQZSA-N |
| Molecular Weight |
309.241 g/mol |
| SMILES |
OC(C(F)(F)F)(C(\C=C\(C(=O)OCC)C#N)C)C(=O)OC |
| SPLASH |
splash10-00di-0901000000-fd378ed64cf7c8023ece |
| Source of Spectrum |
F-65-85-2b' |
| Wiley ID |
1682087 |
