| SpectraBase Spectrum ID |
54upkcHNmLs |
| Name |
4-o-Methylcedrusine;2-(3',4'-dimethoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7-hydroxybenzofuran-5-propan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.157288487 u |
| Formula |
C20H24O6 |
| InChI |
InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1 |
| InChIKey |
CDQGQFPAQVLTLZ-HNAYVOBHSA-N |
| Molecular Weight |
360.406 g/mol |
| SMILES |
C=12O[C@@]([C@](C2=CC(=CC1O)CCCO)(CO)[H])(C1=CC(OC)=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951874 |
