| SpectraBase Spectrum ID |
7Atly8CGhk3 |
| Name |
3,4,3',5'-Tetramethoxy-7,2'-dioxo-.delta(1,3,5,3',8').-8.1'-neolignan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-7-10-22(13-16(25-3)12-19(28-6)21(22)24)14(2)20(23)15-8-9-17(26-4)18(11-15)27-5/h7-9,11-12,14,16H,1,10,13H2,2-6H3/t14-,16+,22-/m1/s1 |
| InChIKey |
ADPAUSMPQDBUOI-WEBUEUPWSA-N |
| Molecular Weight |
388.460 g/mol |
| SMILES |
[C@@]1(C(C(OC)=C[C@@](C1)(OC)[H])=O)([C@@](C(C1=CC(OC)=C(C=C1)OC)=O)(C)[H])CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879167 |
