| SpectraBase Spectrum ID |
8zZJiEqlrg3 |
| Name |
(Erythro / threo)-ethyl 2-cyano-3-fluoro-2-hydroxy-3-methylpentanoate - |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.095771475 u |
| Formula |
C9H14FNO3 |
| InChI |
InChI=1S/C9H14FNO3/c1-4-8(3,10)9(13,6-11)7(12)14-5-2/h13H,4-5H2,1-3H3 |
| InChIKey |
LJTOCJODYCNYSA-UHFFFAOYSA-N |
| Molecular Weight |
203.213 g/mol |
| SMILES |
C(C(=O)OCC)(C#N)(C(F)(CC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844671 |
