| SpectraBase Spectrum ID |
68Nc1xaFRzT |
| Name |
Benzeneethanamine, 4-hydroxy-3-methoxy-N-[3-benzyloxy-4-methoxybenzoyl] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.173272904 u |
| Formula |
C24H25NO5 |
| InChI |
InChI=1S/C24H25NO5/c1-28-21-11-9-19(15-23(21)30-16-18-6-4-3-5-7-18)24(27)25-13-12-17-8-10-20(26)22(14-17)29-2/h3-11,14-15,26H,12-13,16H2,1-2H3,(H,25,27) |
| InChIKey |
QVTTZOCSWQZAGM-UHFFFAOYSA-N |
| Molecular Weight |
407.466 g/mol |
| SMILES |
C1(=CC(=CC=C1OC)C(NCCC1=CC=C(O)C(=C1)OC)=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963981 |
![Benzeneethanamine, 4-hydroxy-3-methoxy-N-[3-benzyloxy-4-methoxybenzoyl]](/api/spectrum/68Nc1xaFRzT/structure.png?h=300&w=458 "Benzeneethanamine, 4-hydroxy-3-methoxy-N-[3-benzyloxy-4-methoxybenzoyl]")
