![Methyl 3-{[(5-bromo-2-thienyl)carbonyl]amino}benzoate](/api/spectrum/47rrZgJ8W3P/structure.png?h=300&w=458 "Methyl 3-{[(5-bromo-2-thienyl)carbonyl]amino}benzoate")
| SpectraBase Compound ID | KU3BJRu8sAU |
|---|---|
| InChI | InChI=1S/C13H10BrNO3S/c1-18-13(17)8-3-2-4-9(7-8)15-12(16)10-5-6-11(14)19-10/h2-7H,1H3,(H,15,16) |
| InChIKey | NNRJTOOVNUELEM-UHFFFAOYSA-N |
| Mol Weight | 340.19 g/mol |
| Molecular Formula | C13H10BrNO3S |
| Exact Mass | 338.956477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47rrZgJ8W3P |
|---|---|
| Name | Methyl 3-{[(5-bromo-2-thienyl)carbonyl]amino}benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.956477357 u |
| Formula | C13H10BrNO3S |
| InChI | InChI=1S/C13H10BrNO3S/c1-18-13(17)8-3-2-4-9(7-8)15-12(16)10-5-6-11(14)19-10/h2-7H,1H3,(H,15,16) |
| InChIKey | NNRJTOOVNUELEM-UHFFFAOYSA-N |
| Molecular Weight | 340.191 g/mol |
| SMILES | N(C=1C=C(C(=O)OC)C=CC1)C(C=1SC(Br)=CC1)=O |