| SpectraBase Spectrum ID |
FDsHSXrtkgh |
| Name |
3'-(alpha-Morpholinobenzyl)-2',4',5'-trihydroxybutyrophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.173272904 u |
| Formula |
C21H25NO5 |
| InChI |
InChI=1S/C21H25NO5/c1-2-6-16(23)15-13-17(24)21(26)18(20(15)25)19(14-7-4-3-5-8-14)22-9-11-27-12-10-22/h3-5,7-8,13,19,24-26H,2,6,9-12H2,1H3 |
| InChIKey |
VVSCDSNLYBCZCL-UHFFFAOYSA-N |
| Molecular Weight |
371.433 g/mol |
| SMILES |
OC1=C(C(=C(C=C1C(CCC)=O)O)O)C(N1CCOCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.831327 |
