| SpectraBase Spectrum ID |
JGKWyrbVSuu |
| Name |
Diethyl malonate, 2-[(5-benzyl-2-fluoro)benzyl]-2-acetamido- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.179501099 u |
| Formula |
C23H26FNO5 |
| InChI |
InChI=1S/C23H26FNO5/c1-4-29-21(27)23(25-16(3)26,22(28)30-5-2)15-19-14-18(11-12-20(19)24)13-17-9-7-6-8-10-17/h6-12,14H,4-5,13,15H2,1-3H3,(H,25,26) |
| InChIKey |
NGXACAJJDNRINM-UHFFFAOYSA-N |
| Molecular Weight |
415.461 g/mol |
| SMILES |
C1(=C(C=C(C=C1)CC1=CC=CC=C1)CC(C(OCC)=O)(C(OCC)=O)NC(=O)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922845 |
![Diethyl malonate, 2-[(5-benzyl-2-fluoro)benzyl]-2-acetamido-](/api/spectrum/JGKWyrbVSuu/structure.png?h=300&w=458 "Diethyl malonate, 2-[(5-benzyl-2-fluoro)benzyl]-2-acetamido-")
