| SpectraBase Compound ID | 2mD9P9siKhC |
|---|---|
| InChI | InChI=1S/C17H18BrNO5S/c1-3-23-15(21)17(19-10-20,16(22)24-4-2)8-11-9-25-14-6-5-12(18)7-13(11)14/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20) |
| InChIKey | MECJSXRFPRNRBA-UHFFFAOYSA-N |
| Mol Weight | 428.3 g/mol |
| Molecular Formula | C17H18BrNO5S |
| Exact Mass | 427.008907 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JuIiKOcBI1V |
|---|---|
| Name | diethyl alpha-formamido-alpha-(5-bromo-3-benzothienylmethyl)malonate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H18BrNO5S |
| InChI | InChI=1S/C17H18BrNO5S/c1-3-23-15(21)17(19-10-20,16(22)24-4-2)8-11-9-25-14-6-5-12(18)7-13(11)14/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20) |
| InChIKey | MECJSXRFPRNRBA-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-300 |
| NMR Standard | DMSO-d5 1H |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CCl4/DMSO-d6 |