SpectraBase Compound ID | HeLmIGsx2BG |
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InChI | InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
InChIKey | QAUASTLEZAPQTB-UHFFFAOYSA-N |
Mol Weight | 229.07 g/mol |
Molecular Formula | C9H9BrO2 |
Exact Mass | 227.978593 g/mol |
SpectraBase Spectrum ID | 37gtIHU0Ykx |
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Name | Ethyl 3-bromobenzoate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H9BrO2 |
InChI | InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
InChIKey | QAUASTLEZAPQTB-UHFFFAOYSA-N |
Ionization Type | EI-B |
Molecular Weight | 229.073 g/mol |
SMILES | CCOC(=O)c1cccc(c1)Br |
SPLASH | splash10-0f8i-1970000000-7697fd257b13e710b99e |
Source of Spectrum | SRH-2022-9595-0 |
Wiley ID | 1831242 |