| SpectraBase Spectrum ID |
Di98Nb2iZg6 |
| Name |
4'-(N-Pentyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.209324061 u |
| Formula |
C24H30O5 |
| InChI |
InChI=1S/C24H30O5/c1-6-7-8-13-29-19-10-11-20(17(2)14-19)21(25)12-9-18-15-22(26-3)24(28-5)23(16-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3/b12-9+ |
| InChIKey |
BTTGPAILFIUMSI-FMIVXFBMSA-N |
| Molecular Weight |
398.499 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCCCC)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836403 |
