| SpectraBase Spectrum ID |
5beGTcJ5l7C |
| Name |
(1R,2S,3S,4R)-1,4-bis(1,3-Benzodioxol-5-yl)-2,3-bis(hydroxymethyl)butane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.131467660 u |
| Formula |
C20H22O8 |
| InChI |
InChI=1S/C20H22O8/c21-7-13(19(23)11-1-3-15-17(5-11)27-9-25-15)14(8-22)20(24)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,19-24H,7-10H2/t13-,14-,19+,20+/m1/s1 |
| InChIKey |
AGYSUKXKNMCTRM-NSMLZSOPSA-N |
| Molecular Weight |
390.388 g/mol |
| SMILES |
[C@]([C@]([C@](C=1C=C2OCOC2=CC1)(O)[H])(CO)[H])([C@](C=1C=C2OCOC2=CC1)(O)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952396 |
