| SpectraBase Spectrum ID |
AUjqVkre7h9 |
| Name |
4'-(N-Propyl)oxy-4-methoxy-2'-methylchalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-4-13-23-18-10-11-19(15(2)14-18)20(21)12-7-16-5-8-17(22-3)9-6-16/h5-12,14H,4,13H2,1-3H3/b12-7+ |
| InChIKey |
DSAOFQVBYWAUOC-KPKJPENVSA-N |
| Molecular Weight |
310.393 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCC)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959521 |
