| SpectraBase Compound ID | ImZo0IMcSGo |
|---|---|
| InChI | InChI=1S/C17H13BrO4/c18-13-6-2-1-5-12(13)17(20)22-15-8-4-3-7-14(15)21-16(19)11-9-10-11/h1-8,11H,9-10H2 |
| InChIKey | TVTFHOXMJXQWGG-UHFFFAOYSA-N |
| Mol Weight | 361.19 g/mol |
| Molecular Formula | C17H13BrO4 |
| Exact Mass | 359.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8is4fZZB4s |
|---|---|
| Name | 1,2-Benzenediol, o-(2-bromobenzoyl)-o'-cyclopropanecarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.999721895 u |
| Formula | C17H13BrO4 |
| InChI | InChI=1S/C17H13BrO4/c18-13-6-2-1-5-12(13)17(20)22-15-8-4-3-7-14(15)21-16(19)11-9-10-11/h1-8,11H,9-10H2 |
| InChIKey | TVTFHOXMJXQWGG-UHFFFAOYSA-N |
| Molecular Weight | 361.191 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C=1C(Br)=CC=CC1)OC(C1CC1)=O |