| SpectraBase Spectrum ID |
GURG9VU2V6K |
| Name |
Derrichalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.183503235 u |
| Formula |
C26H28O7 |
| InChI |
InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24?/m0/s1 |
| InChIKey |
LJHGFVOYNHBEEI-JEPULSAOSA-N |
| Molecular Weight |
452.503 g/mol |
| SMILES |
C12=C(C(C(\C=C\C=3C=CC(=CC3)O)=O)=C(C3=C1OC(C=C3)(C)C)O)OC(C([C@]2(O)[H])OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891224 |
