![Methyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/2jir3d9A1n7/structure.png?h=300&w=458 "Methyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
| SpectraBase Compound ID | Kt4oyI2YUy0 |
|---|---|
| InChI | InChI=1S/C15H15N3O3S/c1-21-15(20)12-9-4-2-3-5-11(9)22-14(12)18-13(19)10-8-16-6-7-17-10/h6-8H,2-5H2,1H3,(H,18,19) |
| InChIKey | OFGAHJNMSKPAHS-UHFFFAOYSA-N |
| Mol Weight | 317.36 g/mol |
| Molecular Formula | C15H15N3O3S |
| Exact Mass | 317.083413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jir3d9A1n7 |
|---|---|
| Name | Methyl 2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.083412526 u |
| Formula | C15H15N3O3S |
| InChI | InChI=1S/C15H15N3O3S/c1-21-15(20)12-9-4-2-3-5-11(9)22-14(12)18-13(19)10-8-16-6-7-17-10/h6-8H,2-5H2,1H3,(H,18,19) |
| InChIKey | OFGAHJNMSKPAHS-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C1=NC=CN=C1)=O |