| SpectraBase Spectrum ID |
Cx0l3qfjwu6 |
| Name |
Licochalcone C diacetate (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.172938551 u |
| Formula |
C25H26O6 |
| InChI |
InChI=1S/C25H26O6/c1-16(2)6-13-22-24(31-18(4)27)15-10-20(25(22)29-5)9-14-23(28)19-7-11-21(12-8-19)30-17(3)26/h6-12,14-15H,13H2,1-5H3/b14-9+ |
| InChIKey |
RTLPTUIXSUGROM-NTEUORMPSA-N |
| Molecular Weight |
422.477 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(\C=C\C1=C(C(=C(C=C1)OC(=O)C)CC=C(C)C)OC)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932082 |
