| SpectraBase Compound ID | Kac30wD8MM6 |
|---|---|
| InChI | InChI=1S/C12H13BrO3/c1-2-3-7-4-8-9(6-16-7)12(15)10(13)5-11(8)14/h5,7H,2-4,6H2,1H3 |
| InChIKey | MLUQCQBOXBWKIN-UHFFFAOYSA-N |
| Mol Weight | 285.14 g/mol |
| Molecular Formula | C12H13BrO3 |
| Exact Mass | 284.004807 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K8UC0qGJTxV |
|---|---|
| Name | (+-)-7-Bromo-3-propyl-3,4-dihydro-1H-2-benzopyran-5,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13BrO3 |
| InChI | InChI=1S/C12H13BrO3/c1-2-3-7-4-8-9(6-16-7)12(15)10(13)5-11(8)14/h5,7H,2-4,6H2,1H3 |
| InChIKey | MLUQCQBOXBWKIN-UHFFFAOYSA-N |
| Molecular Weight | 285.137 g/mol |
| SMILES | C12=C(C(=O)C=C(C2=O)Br)CC(OC1)CCC |
| SPLASH | splash10-02l0-4090000000-0caae6d15cbabc7f404d |
| Source of Spectrum | F-68-2803-7 |
| Wiley ID | 1708363 |