| SpectraBase Spectrum ID |
DTWrlQ5EgYY |
| Name |
1,1-Dimethyl 2-(3-bromophenyl)cyclopropane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.999721895 u |
| Formula |
C13H13BrO4 |
| InChI |
InChI=1S/C13H13BrO4/c1-17-11(15)13(12(16)18-2)7-10(13)8-4-3-5-9(14)6-8/h3-6,10H,7H2,1-2H3 |
| InChIKey |
VHCZCCPFYDYULF-UHFFFAOYSA-N |
| Molecular Weight |
313.147 g/mol |
| SMILES |
C1C(C(OC)=O)(C(OC)=O)C1C1=CC(=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916255 |
