| SpectraBase Compound ID | 3VlLgJpjLf4 |
|---|---|
| InChI | InChI=1S/C13H13BrO6/c1-18-12(16)9(14)10(13(17)19-2)20-11(15)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3 |
| InChIKey | PKPAPGSWZFIPKB-UHFFFAOYSA-N |
| Mol Weight | 345.15 g/mol |
| Molecular Formula | C13H13BrO6 |
| Exact Mass | 343.989551 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IwV7xD5PGA1 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H13O6Br |
| InChI | InChI=1S/C13H13BrO6/c1-18-12(16)9(14)10(13(17)19-2)20-11(15)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3 |
| InChIKey | PKPAPGSWZFIPKB-UHFFFAOYSA-N |
| Molecular Weight | 343.9891 |
| SMILES | COC(C(C(C(OC)=O)OC(c1ccccc1)=O)Br)=O |
| SPLASH | splash10-0a4i-4910000000-ceffafad1e6b722c13cd |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |