| SpectraBase Spectrum ID |
9Uob4S9HxU0 |
| Name |
4'-(Isopropyl)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/c1-14(2)23-18-10-11-19(15(3)13-18)20(21)12-7-16-5-8-17(22-4)9-6-16/h5-14H,1-4H3/b12-7+ |
| InChIKey |
MKRWDRRJSIADMB-KPKJPENVSA-N |
| Molecular Weight |
310.393 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC(C)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957443 |
