SpectraBase Compound ID | 8TukDbCgE8j |
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InChI | InChI=1S/C13H11BrO3/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h1,5-8,11H,4H2,2H3 |
InChIKey | GPXIDWASEBAPSN-UHFFFAOYSA-N |
Mol Weight | 295.13 g/mol |
Molecular Formula | C13H11BrO3 |
Exact Mass | 293.989157 g/mol |
SpectraBase Spectrum ID | 1Ki2DCvLYbt |
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Name | Methyl 2-(4-bromobenzoyl)pent-4-ynoate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H11BrO3 |
InChI | InChI=1S/C13H11BrO3/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h1,5-8,11H,4H2,2H3 |
InChIKey | GPXIDWASEBAPSN-UHFFFAOYSA-N |
Molecular Weight | 295.132 g/mol |
SMILES | COC(=O)C(CC#C)C(=O)c1ccc(cc1)Br |
SPLASH | splash10-001i-0900000000-69a309e666ecba17182f |
Source of Spectrum | ASC-352-1163/SM4-2h |
Wiley ID | 1764428 |