SpectraBase Spectrum ID |
5o6RGlJLmLP |
Name |
Isobavachalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.136159120 u |
Formula |
C20H20O4 |
InChI |
InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+ |
InChIKey |
DUWPGRAKHMEPCM-IZZDOVSWSA-N |
Molecular Weight |
324.376 g/mol |
SMILES |
C1(O)=CC=C(\C=C\C(=O)C2=C(O)C(=C(O)C=C2)CC=C(C)C)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864662 |