| SpectraBase Spectrum ID |
KsoJGfdB4rY |
| Name |
[4-(1,3-Benzodioxol-5-yl)-3-(hydroxymethyl)-6,7-dimethoxy-2-naphthalenyl]methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.125988358 u |
| Formula |
C21H20O6 |
| InChI |
InChI=1S/C21H20O6/c1-24-18-7-13-5-14(9-22)16(10-23)21(15(13)8-19(18)25-2)12-3-4-17-20(6-12)27-11-26-17/h3-8,22-23H,9-11H2,1-2H3 |
| InChIKey |
CAQBJPLPDCUPNR-UHFFFAOYSA-N |
| Molecular Weight |
368.385 g/mol |
| SMILES |
C=1(C(=C(C=C2C=C(C(=CC12)OC)OC)CO)CO)C=1C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952301 |
![[4-(1,3-Benzodioxol-5-yl)-3-(hydroxymethyl)-6,7-dimethoxy-2-naphthalenyl]methanol](/api/spectrum/KsoJGfdB4rY/structure.png?h=300&w=458 "[4-(1,3-Benzodioxol-5-yl)-3-(hydroxymethyl)-6,7-dimethoxy-2-naphthalenyl]methanol")
