| SpectraBase Compound ID | JZ9aJ1P0zWJ |
|---|---|
| InChI | InChI=1S/C12H13BrO4/c1-2-10(14)12(16)17-7-11(15)8-3-5-9(13)6-4-8/h3-6,10,14H,2,7H2,1H3 |
| InChIKey | HKXDCSFKAGNYQF-UHFFFAOYSA-N |
| Mol Weight | 301.14 g/mol |
| Molecular Formula | C12H13BrO4 |
| Exact Mass | 299.999722 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | InxvVKZ9NWn |
|---|---|
| Name | .alpha.-Hydrocyisobutyric acid p-bromophenacyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13BrO4 |
| InChI | InChI=1S/C12H13BrO4/c1-2-10(14)12(16)17-7-11(15)8-3-5-9(13)6-4-8/h3-6,10,14H,2,7H2,1H3 |
| InChIKey | HKXDCSFKAGNYQF-UHFFFAOYSA-N |
| Molecular Weight | 301.136 g/mol |
| SMILES | OC(C(OCC(c1ccc(cc1)Br)=O)=O)CC |
| SPLASH | splash10-0a4i-7910000000-b7752a0d7ed94ee4f145 |
| Source of Spectrum | F8-24-10-0 |
| Wiley ID | 1581599 |