| SpectraBase Spectrum ID |
5nzJ2XIESnb |
| Name |
2-(3-Bromanyl-4,5-dimethoxy-phenyl)-5,5-dimethyl-1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.046672088 u |
| Formula |
C14H19BrO4 |
| InChI |
InChI=1S/C14H19BrO4/c1-14(2)7-18-13(19-8-14)9-5-10(15)12(17-4)11(6-9)16-3/h5-6,13H,7-8H2,1-4H3 |
| InChIKey |
JUQODEODMDNKTB-UHFFFAOYSA-N |
| Molecular Weight |
331.206 g/mol |
| SMILES |
C=1(C(=C(C=C(C1)C1OCC(CO1)(C)C)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894181 |
