| SpectraBase Spectrum ID |
JeE2RvY38oh |
| Name |
4H-1-Benzopyran-4-one, 3-(5-methyl-5-phenyl-1,3-dioxan-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.120509056 u |
| Formula |
C20H18O4 |
| InChI |
InChI=1S/C20H18O4/c1-20(14-7-3-2-4-8-14)12-23-19(24-13-20)16-11-22-17-10-6-5-9-15(17)18(16)21/h2-11,19H,12-13H2,1H3 |
| InChIKey |
CCPWQQCHFCZJNM-UHFFFAOYSA-N |
| Molecular Weight |
322.360 g/mol |
| SMILES |
C=1(C(C2=CC=CC=C2OC1)=O)C1OCC(CO1)(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929017 |
