| SpectraBase Spectrum ID |
F6pTqJN5RsD |
| Name |
4H-1-Benzopyran-4-one, 7-hydroxy-5-methoxy-2-phenyl-8-(2-piperidinyl)-, (+)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.147058156 u |
| Formula |
C21H21NO4 |
| InChI |
InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3 |
| InChIKey |
NCKUKESTUWVGFY-UHFFFAOYSA-N |
| Molecular Weight |
351.402 g/mol |
| SMILES |
C=12C(C(=O)C=C(O2)C=2C=CC=CC2)=C(OC)C=C(C1C1NCCCC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85534 |
