| SpectraBase Spectrum ID |
5dvMDq9uKMn |
| Name |
Methyl 5,5-dicyano-3-ethyl-2-hydroxy-2-(trifluoromethyl)pent-4-enoate isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11F3N2O3 |
| InChI |
InChI=1S/C11H11F3N2O3/c1-3-8(4-7(5-15)6-16)10(18,9(17)19-2)11(12,13)14/h4,8,18H,3H2,1-2H3 |
| InChIKey |
HZBRTIYRUDNOPJ-UHFFFAOYSA-N |
| Molecular Weight |
276.215 g/mol |
| SMILES |
OC(C(F)(F)F)(C(C=C(C#N)C#N)CC)C(=O)OC |
| SPLASH |
splash10-014i-0900000000-9714dd2ebeafbb85feab |
| Source of Spectrum |
F-65-85-2f |
| Wiley ID |
1682081 |
