| SpectraBase Spectrum ID |
CHSWpXsrvAb |
| Name |
5,6,7-Trimethoxy-3-(4'-methoxyphenyl)-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.110338294 u |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)13-10-25-14-9-15(22-2)18(23-3)19(24-4)16(14)17(13)20/h5-10H,1-4H3 |
| InChIKey |
OVIIKCVNNUKDMQ-UHFFFAOYSA-N |
| Molecular Weight |
342.347 g/mol |
| SMILES |
C=12OC=C(C(C2=C(C(OC)=C(C1)OC)OC)=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971256 |
