| SpectraBase Spectrum ID |
9LHRwPJoykl |
| Name |
2,4-Dimethoxy-2'-(N-propyl)oxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-4-13-24-19-8-6-5-7-17(19)18(21)12-10-15-9-11-16(22-2)14-20(15)23-3/h5-12,14H,4,13H2,1-3H3/b12-10+ |
| InChIKey |
AGWNATBECZPJGC-ZRDIBKRKSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1(=C(C=CC=C1)OCCC)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965414 |
