| SpectraBase Spectrum ID |
7OoIjkWWbpL |
| Name |
(1R,2R)-1-(3-Hydroxy-4-methoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.136553041 u |
| Formula |
C18H22O7 |
| InChI |
InChI=1S/C18H22O7/c1-22-13-6-5-10(7-12(13)19)16(20)17(21)11-8-14(23-2)18(25-4)15(9-11)24-3/h5-9,16-17,19-21H,1-4H3/t16-,17-/m1/s1 |
| InChIKey |
GNUFQAYMLAQRQN-IAGOWNOFSA-N |
| Molecular Weight |
350.367 g/mol |
| SMILES |
C=1([C@]([C@@](C=2C=C(O)C(=CC2)OC)(O)[H])(O)[H])C=C(OC)C(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959815 |
