| SpectraBase Spectrum ID |
GEXvg42gxTi |
| Name |
2'-(N-Propyl)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/c1-5-12-26-20-14-16(23-2)8-9-17(20)18(22)10-6-15-7-11-19(24-3)21(13-15)25-4/h6-11,13-14H,5,12H2,1-4H3/b10-6+ |
| InChIKey |
ZDHYGAZXVIBTDK-UXBLZVDNSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCC)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954424 |
