| SpectraBase Spectrum ID |
BXfxXwXSWaE |
| Name |
1,3-Dioxane-4,6-dione, 5-allyl-5-(4-hydroxybenzyl)-2,2-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.115423675 u |
| Formula |
C16H18O5 |
| InChI |
InChI=1S/C16H18O5/c1-4-9-16(10-11-5-7-12(17)8-6-11)13(18)20-15(2,3)21-14(16)19/h4-8,17H,1,9-10H2,2-3H3 |
| InChIKey |
FVLFIOWFTSKUQK-UHFFFAOYSA-N |
| SMILES |
C(C1(C(OC(OC1=O)(C)C)=O)CC=C)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911025 |
