| SpectraBase Spectrum ID |
C0Q930uJobT |
| Name |
Valine, N-[(2Z)-2-(acetylamino)-3-(4-fluorophenyl)-1-oxo-2-propenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.132885259 u |
| Formula |
C16H19FN2O4 |
| InChI |
InChI=1S/C16H19FN2O4/c1-9(2)14(16(22)23)19-15(21)13(18-10(3)20)8-11-4-6-12(17)7-5-11/h4-9,14H,1-3H3,(H,18,20)(H,19,21)(H,22,23)/b13-8- |
| InChIKey |
GERHSPZWUBRVHB-JYRVWZFOSA-N |
| Molecular Weight |
322.336 g/mol |
| SMILES |
N(C(\C(NC(=O)C)=C/C=1C=CC(=CC1)F)=O)C(C(=O)O)C(C)C |
![valine, N-[(2Z)-2-(acetylamino)-3-(4-fluorophenyl)-1-oxo-2-propenyl]-](/api/spectrum/C0Q930uJobT/structure.png?h=300&w=458 "valine, N-[(2Z)-2-(acetylamino)-3-(4-fluorophenyl)-1-oxo-2-propenyl]-")
