| SpectraBase Spectrum ID |
9d8ORTjLZam |
| Name |
Benzeneethanamine, 5-benzyloxy-2-fluoro-N-formyl-.beta.-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.111421539 u |
| Formula |
C16H16FNO3 |
| InChI |
InChI=1S/C16H16FNO3/c17-15-7-6-13(8-14(15)16(20)9-18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,16,20H,9-10H2,(H,18,19) |
| InChIKey |
BHDKSJUGEYNWHJ-UHFFFAOYSA-N |
| Molecular Weight |
289.306 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCC1=CC=CC=C1)C(O)CNC=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906954 |
