| SpectraBase Spectrum ID |
AaqqpMTTYC |
| Name |
4'-(3-Methylbutyl)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/c1-16(2)11-12-29-19-8-9-20(17(3)13-19)21(25)10-7-18-14-22(26-4)24(28-6)23(15-18)27-5/h7-10,13-16H,11-12H2,1-6H3/b10-7+ |
| InChIKey |
HACKBIBIXUSOHX-JXMROGBWSA-N |
| Molecular Weight |
398.499 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OCCC(C)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88492 |
