| SpectraBase Spectrum ID |
6Rj9LzxizRV |
| Name |
(2R,3R)-3-(4-Methoxybenzyloxy)-butan-1,2,4-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.115423675 u |
| Formula |
C12H18O5 |
| InChI |
InChI=1S/C12H18O5/c1-16-10-4-2-9(3-5-10)8-17-12(7-14)11(15)6-13/h2-5,11-15H,6-8H2,1H3/t11-,12-/m1/s1 |
| InChIKey |
PJXCABOWNRSIIN-VXGBXAGGSA-N |
| Molecular Weight |
242.271 g/mol |
| SMILES |
C([C@]([C@@](CO)(OCC1=CC=C(C=C1)OC)[H])(O)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97505 |
