| SpectraBase Spectrum ID |
Hs0MAnmbYDz |
| Name |
(E)-1-Ethyl 6-methyl 2-cyano-4-isopropyl-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 |
C14H18F3NO5 |
| InChI |
InChI=1S/C14H18F3NO5/c1-5-23-11(19)9(7-18)6-10(8(2)3)13(21,12(20)22-4)14(15,16)17/h6,8,10,21H,5H2,1-4H3/b9-6+ |
| InChIKey |
TVHUWFIPHLUHHP-RMKNXTFCSA-N |
| Molecular Weight |
337.295 g/mol |
| SMILES |
OC(C(\C=C\(C(=O)OCC)C#N)C(C)C)(C(F)(F)F)C(=O)OC |
| SPLASH |
splash10-000i-0090000000-67e361ca18548a40a28f |
| Source of Spectrum |
F-65-85-2c' |
| Wiley ID |
1682085 |
