| SpectraBase Spectrum ID |
HRfmujNCIkx |
| Name |
1-[3',4'-(Methylenedioxy)phenyl]-2,3-bis(hydroxymethyl)-6-hydroxy-7-methoxynaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.110338294 u |
| Formula |
C20H18O6 |
| InChI |
InChI=1S/C20H18O6/c1-24-18-7-14-12(5-16(18)23)4-13(8-21)15(9-22)20(14)11-2-3-17-19(6-11)26-10-25-17/h2-7,21-23H,8-10H2,1H3 |
| InChIKey |
KNQCWCIVLPRYNM-UHFFFAOYSA-N |
| Molecular Weight |
354.358 g/mol |
| SMILES |
C12=C(C=3C=C4OCOC4=CC3)C(CO)=C(C=C2C=C(C(=C1)OC)O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872606 |
![1-[3',4'-(Methylenedioxy)phenyl]-2,3-bis(hydroxymethyl)-6-hydroxy-7-methoxynaphthalene](/api/spectrum/HRfmujNCIkx/structure.png?h=300&w=458 "1-[3',4'-(Methylenedioxy)phenyl]-2,3-bis(hydroxymethyl)-6-hydroxy-7-methoxynaphthalene")
