| SpectraBase Spectrum ID |
J3vBN8ychFx |
| Name |
(2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)-[1,3]dioxan-5-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-4-13-12(15)9-17-14(18-13)10-5-7-11(16-2)8-6-10/h3,5-8,12-15H,1,4,9H2,2H3/t12-,13+,14-/m1/s1 |
| InChIKey |
YEALGVJWKPKGAF-HZSPNIEDSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
[C@@]1(OC[C@]([C@@](O1)(CC=C)[H])(O)[H])(C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913475 |
![(2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)-[1,3]dioxan-5-ol](/api/spectrum/J3vBN8ychFx/structure.png?h=300&w=458 "(2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)-[1,3]dioxan-5-ol")
