SpectraBase Compound ID | H34KW3XASY6 |
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InChI | InChI=1S/C15H13BrO2S/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3 |
InChIKey | FLQQLMSMHSJCAK-UHFFFAOYSA-N |
Mol Weight | 337.23 g/mol |
Molecular Formula | C15H13BrO2S |
Exact Mass | 335.981964 g/mol |
SpectraBase Spectrum ID | 9PanmiZ0OQQ |
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Name | 4-(Methylthio)benzoic acid, 3-bromobenzyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 335.981963831 u |
Formula | C15H13BrO2S |
InChI | InChI=1S/C15H13BrO2S/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3 |
InChIKey | FLQQLMSMHSJCAK-UHFFFAOYSA-N |
Molecular Weight | 337.231 g/mol |
SMILES | C1=CC(=CC=C1C(=O)OCC=1C=C(C=CC1)Br)SC |