| SpectraBase Spectrum ID |
HzfkThxDv2o |
| Name |
2'-(N-Butyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.188588616 u |
| Formula |
C23H28O6 |
| InChI |
InChI=1S/C23H28O6/c1-6-7-12-29-20-15-17(25-2)9-10-18(20)19(24)11-8-16-13-21(26-3)23(28-5)22(14-16)27-4/h8-11,13-15H,6-7,12H2,1-5H3/b11-8+ |
| InChIKey |
SHWMEGCYIUXGDT-DHZHZOJOSA-N |
| Molecular Weight |
400.471 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCCC)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948895 |
