SpectraBase Spectrum ID |
DiF2eTAH0i9 |
Name |
(2R,3S)-2-(2,2-Diphenylbenzo[1,3]dioxol-5-yl)-5,7-dimethoxychroman-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
482.172938551 u |
Formula |
C30H26O6 |
InChI |
InChI=1S/C30H26O6/c1-32-22-16-26(33-2)23-18-24(31)29(34-27(23)17-22)19-13-14-25-28(15-19)36-30(35-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,24,29,31H,18H2,1-2H3/t24-,29+/m0/s1 |
InChIKey |
SBFZGOWFNYBIFW-PWUYWRBVSA-N |
Molecular Weight |
482.532 g/mol |
SMILES |
[C@@]1([C@](CC=2C(=CC(=CC2O1)OC)OC)(O)[H])(C=1C=C2OC(OC2=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837524 |