| SpectraBase Spectrum ID |
8uIyMMEOa8x |
| Name |
(2R,3R)-Ethyl 2-fluoro-2-nitro-3-(4-fluorophenyl)-5-oxohexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.091828908 u |
| Formula |
C14H15F2NO5 |
| InChI |
InChI=1S/C14H15F2NO5/c1-3-22-13(19)14(16,17(20)21)12(8-9(2)18)10-4-6-11(15)7-5-10/h4-7,12H,3,8H2,1-2H3/t12-,14+/m1/s1 |
| InChIKey |
VSXBPXTVRXJLPV-OCCSQVGLSA-N |
| Molecular Weight |
315.273 g/mol |
| SMILES |
[C@@](N(=O)=O)([C@@](C=1C=CC(=CC1)F)(CC(=O)C)[H])(C(=O)OCC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878046 |
