| SpectraBase Spectrum ID |
HrWvSKcHKkS |
| Name |
2'-(N-Pentyl)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 |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-6-7-8-13-30-21-16-18(26-2)10-11-19(21)20(25)12-9-17-14-22(27-3)24(29-5)23(15-17)28-4/h9-12,14-16H,6-8,13H2,1-5H3/b12-9+ |
| InChIKey |
JXSSZCOKSAIJBK-FMIVXFBMSA-N |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCCCC)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858596 |
