| SpectraBase Spectrum ID |
6Oe815cAzbU |
| Name |
2'-(3-Methylbutyl)oxy-3,4,4',6'-tetramethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-16(2)11-12-30-23-15-18(26-3)14-22(29-6)24(23)19(25)9-7-17-8-10-20(27-4)21(13-17)28-5/h7-10,13-16H,11-12H2,1-6H3/b9-7+ |
| InChIKey |
OWIFDMMSYLQAQK-VQHVLOKHSA-N |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OCCC(C)C)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913111 |
