| SpectraBase Spectrum ID |
EWtkzKAQnno |
| Name |
2,3-bis(Hydroxymethyl)-1-(methoxymethoxy)-1-(3',4'-methylenedioxyphenyl)-4-(3'',4''-dimethoxyphenyl)-4-hydroxybutane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.188982537 u |
| Formula |
C23H30O9 |
| InChI |
InChI=1S/C23H30O9/c1-27-12-32-23(15-5-7-19-21(9-15)31-13-30-19)17(11-25)16(10-24)22(26)14-4-6-18(28-2)20(8-14)29-3/h4-9,16-17,22-26H,10-13H2,1-3H3 |
| InChIKey |
VSFGYIRUZMSXMO-UHFFFAOYSA-N |
| Molecular Weight |
450.484 g/mol |
| SMILES |
C(C(C(C1=CC=2OCOC2C=C1)OCOC)CO)(C(C1=CC(=C(OC)C=C1)OC)O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956868 |
