| SpectraBase Spectrum ID |
BweIMx7ddwj |
| Name |
4-Benzyloxycarbonyl-6,7-dimethoxy-4-(4-methoxyphenyl)-2H-1-benzopyran-3(4H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.152203106 u |
| Formula |
C26H24O7 |
| InChI |
InChI=1S/C26H24O7/c1-29-19-11-9-18(10-12-19)26(25(28)33-15-17-7-5-4-6-8-17)20-13-22(30-2)23(31-3)14-21(20)32-16-24(26)27/h4-14H,15-16H2,1-3H3 |
| InChIKey |
LWHMZJQYTFBATJ-UHFFFAOYSA-N |
| Molecular Weight |
448.471 g/mol |
| SMILES |
C1C(C(C=2C(O1)=CC(=C(C2)OC)OC)(C=1C=CC(=CC1)OC)C(=O)OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879525 |
