| SpectraBase Spectrum ID |
5heiVSuOsf4 |
| Name |
Diethyl malonate, 2-[(2-fluoro-5-hydroxy-4-methoxy)benzyl]-2-acetamido- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.138030208 u |
| Formula |
C17H22FNO7 |
| InChI |
InChI=1S/C17H22FNO7/c1-5-25-15(22)17(19-10(3)20,16(23)26-6-2)9-11-7-13(21)14(24-4)8-12(11)18/h7-8,21H,5-6,9H2,1-4H3,(H,19,20) |
| InChIKey |
BEMAXQZFFSDBAH-UHFFFAOYSA-N |
| Molecular Weight |
371.361 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)O)CC(NC(C)=O)(C(OCC)=O)C(OCC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972236 |
![Diethyl malonate, 2-[(2-fluoro-5-hydroxy-4-methoxy)benzyl]-2-acetamido-](/api/spectrum/5heiVSuOsf4/structure.png?h=300&w=458 "Diethyl malonate, 2-[(2-fluoro-5-hydroxy-4-methoxy)benzyl]-2-acetamido-")
