| SpectraBase Spectrum ID |
3IXanM60WPk |
| Name |
2,4-Dimethoxy-2'-(acetyl)oxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.115423675 u |
| Formula |
C19H18O5 |
| InChI |
InChI=1S/C19H18O5/c1-13(20)24-18-7-5-4-6-16(18)17(21)11-9-14-8-10-15(22-2)12-19(14)23-3/h4-12H,1-3H3/b11-9+ |
| InChIKey |
DGDCFFTXCZTLBG-PKNBQFBNSA-N |
| Molecular Weight |
326.348 g/mol |
| SMILES |
C1(=C(C=CC=C1)OC(C)=O)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963873 |
