| SpectraBase Spectrum ID |
1VPXLhZE4U3 |
| Name |
2-Propen-1-one, 1-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenyl-, (2E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.141244501 u |
| Formula |
C21H20O3 |
| InChI |
InChI=1S/C21H20O3/c1-21(2)14-13-17-19(24-21)12-10-16(20(17)23-3)18(22)11-9-15-7-5-4-6-8-15/h4-14H,1-3H3/b11-9+ |
| InChIKey |
QQWYBWNEILZOKI-PKNBQFBNSA-N |
| Molecular Weight |
320.388 g/mol |
| SMILES |
C(\C=C\C1=CC=CC=C1)(=O)C1=C(OC)C2=C(OC(C)(C)C=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95631 |
