| SpectraBase Spectrum ID |
9a4KP37w8ul |
| Name |
(E)-2,2'-(4-Hydroxy-3,5-dimethoxybenzal)-3-(3,4-methylenedioxybenzoyl)-butanolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.100167532 u |
| Formula |
C21H18O8 |
| InChI |
InChI=1S/C21H18O8/c1-25-17-6-11(7-18(26-2)20(17)23)5-13-14(9-27-21(13)24)19(22)12-3-4-15-16(8-12)29-10-28-15/h3-8,14,23H,9-10H2,1-2H3/b13-5-/t14-/m0/s1 |
| InChIKey |
LKGRNZGFZVAPKT-UUSOHVMFSA-N |
| Molecular Weight |
398.367 g/mol |
| SMILES |
C1(=O)OC[C@@](\C1=C/C1=CC(OC)=C(O)C(OC)=C1)(C(=O)C1=CC2=C(C=C1)OCO2)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83408 |
