![Methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/FUpgEUfANI0/structure.png?h=300&w=458 "Methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
| SpectraBase Compound ID | KMusAPolwWb |
|---|---|
| InChI | InChI=1S/C15H19NO5S/c1-20-12(18)8-7-11(17)16-14-13(15(19)21-2)9-5-3-4-6-10(9)22-14/h3-8H2,1-2H3,(H,16,17) |
| InChIKey | HCCPEWLYJKJJEC-UHFFFAOYSA-N |
| Mol Weight | 325.38 g/mol |
| Molecular Formula | C15H19NO5S |
| Exact Mass | 325.098394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUpgEUfANI0 |
|---|---|
| Name | Methyl 2-[(4-methoxy-4-oxobutanoyl)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 | 325.098393885 u |
| Formula | C15H19NO5S |
| InChI | InChI=1S/C15H19NO5S/c1-20-12(18)8-7-11(17)16-14-13(15(19)21-2)9-5-3-4-6-10(9)22-14/h3-8H2,1-2H3,(H,16,17) |
| InChIKey | HCCPEWLYJKJJEC-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=2CCCCC2S1)C(=O)OC)C(=O)CCC(=O)OC |