| SpectraBase Spectrum ID |
BbpmmBiEJs0 |
| Name |
Benzeneethanamine, N-acetyl-2-fluoro-4,5-dimethoxy-.alpha.-diethoxycarbon |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.153680273 u |
| Formula |
C18H24FNO7 |
| InChI |
InChI=1S/C18H24FNO7/c1-6-26-16(22)18(20-11(3)21,17(23)27-7-2)10-12-8-14(24-4)15(25-5)9-13(12)19/h8-9H,6-7,10H2,1-5H3,(H,20,21) |
| InChIKey |
GBOZECBVTCQTSP-UHFFFAOYSA-N |
| Molecular Weight |
385.388 g/mol |
| SMILES |
COC1=CC(=C(C=C1OC)CC(C(OCC)=O)(NC(=O)C)C(OCC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970726 |
