| SpectraBase Compound ID | CVzXXZjA0Ss |
|---|---|
| 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 |
| Mol Weight | 313.15 g/mol |
| Molecular Formula | C13H13BrO4 |
| Exact Mass | 311.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcDTY4ZF1wN |
|---|---|
| Name | 1,1-Dimethyl 2-(3-bromophenyl)cyclopropane-1,1-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| 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 |