| SpectraBase Spectrum ID |
CzgvxRHXirP |
| Name |
p-Brombenzylidenmeldrumsaeure |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.984071830 u |
| Formula |
C13H11BrO4 |
| InChI |
InChI=1S/C13H11BrO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7H,1-2H3 |
| InChIKey |
BYJCZLGELPMDTC-UHFFFAOYSA-N |
| Molecular Weight |
311.131 g/mol |
| SMILES |
C1(OC(OC(C1=CC=1C=CC(=CC1)Br)=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861334 |
