| SpectraBase Spectrum ID |
6aFZF2JE8F9 |
| Name |
Benzeneethanamine, 3,4-dibenzyloxy-.beta.-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.167793602 u |
| Formula |
C22H23NO3 |
| InChI |
InChI=1S/C22H23NO3/c23-14-20(24)19-11-12-21(25-15-17-7-3-1-4-8-17)22(13-19)26-16-18-9-5-2-6-10-18/h1-13,20,24H,14-16,23H2 |
| InChIKey |
QLJSQYBXVOSONC-UHFFFAOYSA-N |
| Molecular Weight |
349.430 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(O)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957889 |
