| SpectraBase Spectrum ID |
60ECCEWzn3N |
| Name |
Curcumin - (4-butyl) derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.188588616 u |
| Formula |
C25H28O6 |
| InChI |
InChI=1S/C25H28O6/c1-4-5-14-31-23-13-9-19(16-25(23)30-3)7-11-21(27)17-20(26)10-6-18-8-12-22(28)24(15-18)29-2/h6-13,15-16,28H,4-5,14,17H2,1-3H3/b10-6+,11-7+ |
| InChIKey |
JUWMSSOJDXYSFU-JMQWPVDRSA-N |
| Molecular Weight |
424.493 g/mol |
| SMILES |
C=1(C(=CC=C(\C=C\C(CC(\C=C\C=2C=C(OC)C(=CC2)OCCCC)=O)=O)C1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948657 |
