![Isopropyl 4-{[(5-bromo-2-thienyl)carbonyl]amino}benzoate](/api/spectrum/ITzD6mG7dOF/structure.png?h=300&w=458 "Isopropyl 4-{[(5-bromo-2-thienyl)carbonyl]amino}benzoate")
| SpectraBase Compound ID | KSgdfCPCrzw |
|---|---|
| InChI | InChI=1S/C15H14BrNO3S/c1-9(2)20-15(19)10-3-5-11(6-4-10)17-14(18)12-7-8-13(16)21-12/h3-9H,1-2H3,(H,17,18) |
| InChIKey | MPVUDMBZDPAKSP-UHFFFAOYSA-N |
| Mol Weight | 368.25 g/mol |
| Molecular Formula | C15H14BrNO3S |
| Exact Mass | 366.987777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITzD6mG7dOF |
|---|---|
| Name | Isopropyl 4-{[(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 | 366.987777486 u |
| Formula | C15H14BrNO3S |
| InChI | InChI=1S/C15H14BrNO3S/c1-9(2)20-15(19)10-3-5-11(6-4-10)17-14(18)12-7-8-13(16)21-12/h3-9H,1-2H3,(H,17,18) |
| InChIKey | MPVUDMBZDPAKSP-UHFFFAOYSA-N |
| Molecular Weight | 368.245 g/mol |
| SMILES | N(C1=CC=C(C(OC(C)C)=O)C=C1)C(C=1SC(Br)=CC1)=O |