| SpectraBase Spectrum ID |
HdhuElpwhCN |
| Name |
2'-(Isopropyl)oxy-3,4,4'-trimethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-14(2)26-20-13-16(23-3)8-9-17(20)18(22)10-6-15-7-11-19(24-4)21(12-15)25-5/h6-14H,1-5H3/b10-6+ |
| InChIKey |
FBMNRRQJZLGJTL-UXBLZVDNSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OC(C)C)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952022 |
