| SpectraBase Spectrum ID |
5E8OnFZNlVf |
| Name |
2'-(Isopropyl)oxy-4,4',6'-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)26-20-13-17(24-4)12-19(25-5)21(20)18(22)11-8-15-6-9-16(23-3)10-7-15/h6-14H,1-5H3/b11-8+ |
| InChIKey |
NFGCVGUBHSDZME-DHZHZOJOSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(C)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969279 |
