| SpectraBase Spectrum ID |
B7F7ngeKV1n |
| Name |
1-Benzyl-2,5-dimethoxy-4-(2,5-dimethoxy-.alpha.-hydroxybenzyl)-2,5-cyclohexadiene-1-carboxaldehyde |
| 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/c1-28-18-10-11-21(29-2)19(12-18)24(27)20-13-23(31-4)25(16-26,15-22(20)30-3)14-17-8-6-5-7-9-17/h5-13,15-16,20,24,27H,14H2,1-4H3/t20-,24+,25+/m1/s1 |
| InChIKey |
RPHJTMKMNMTCTL-YNJKOYDBSA-N |
| Molecular Weight |
424.493 g/mol |
| SMILES |
[C@@]1(C=C(OC)[C@](C=C1OC)(CC=1C=CC=CC1)C=O)([C@](C1=C(C=CC(=C1)OC)OC)(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960519 |
