| SpectraBase Spectrum ID |
HICZVxc2tZh |
| Name |
5-(3-Bromo-4,5-dimethoxy-benzylidene)-2-tert-butyl-2-methyl-[1,3]dioxane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.052151390 u |
| Formula |
C18H21BrO6 |
| InChI |
InChI=1S/C18H21BrO6/c1-17(2,3)18(4)24-15(20)11(16(21)25-18)7-10-8-12(19)14(23-6)13(9-10)22-5/h7-9H,1-6H3/b11-7- |
| InChIKey |
BVQWNUISRBOSLV-XFFZJAGNSA-N |
| Molecular Weight |
413.264 g/mol |
| SMILES |
C1(C(OC(OC1=O)(C(C)(C)C)C)=O)=CC1=CC(Br)=C(C(=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972641 |
![5-(3-Bromo-4,5-dimethoxy-benzylidene)-2-tert-butyl-2-methyl-[1,3]dioxane-4,6-dione](/api/spectrum/HICZVxc2tZh/structure.png?h=300&w=458 "5-(3-Bromo-4,5-dimethoxy-benzylidene)-2-tert-butyl-2-methyl-[1,3]dioxane-4,6-dione")
