| SpectraBase Spectrum ID |
DW2Go8LX5i1 |
| Name |
3-Allyloxycarbonyl-7-methoxy-3-(4-methoxyphenyl)-chroman-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.125988358 u |
| Formula |
C21H20O6 |
| InChI |
InChI=1S/C21H20O6/c1-4-11-26-20(23)21(14-5-7-15(24-2)8-6-14)13-27-18-12-16(25-3)9-10-17(18)19(21)22/h4-10,12H,1,11,13H2,2-3H3 |
| InChIKey |
AQMLKXFDXGKXKY-UHFFFAOYSA-N |
| Molecular Weight |
368.385 g/mol |
| SMILES |
C1OC2=CC(=CC=C2C(C1(C(=O)OCC=C)C1=CC=C(OC)C=C1)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968822 |
