![Methyl 2-[(cyanoacetyl)amino]-4-phenyl-3-thiophenecarboxylate](/api/spectrum/Gn9cP6EQY68/structure.png?h=300&w=458 "Methyl 2-[(cyanoacetyl)amino]-4-phenyl-3-thiophenecarboxylate")
| SpectraBase Compound ID | 7EOqXplnpTQ |
|---|---|
| InChI | InChI=1S/C15H12N2O3S/c1-20-15(19)13-11(10-5-3-2-4-6-10)9-21-14(13)17-12(18)7-8-16/h2-6,9H,7H2,1H3,(H,17,18) |
| InChIKey | ZFHPMGZUQRNJEW-UHFFFAOYSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C15H12N2O3S |
| Exact Mass | 300.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gn9cP6EQY68 |
|---|---|
| Name | Methyl 2-[(cyanoacetyl)amino]-4-phenyl-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.056863425 u |
| Formula | C15H12N2O3S |
| InChI | InChI=1S/C15H12N2O3S/c1-20-15(19)13-11(10-5-3-2-4-6-10)9-21-14(13)17-12(18)7-8-16/h2-6,9H,7H2,1H3,(H,17,18) |
| InChIKey | ZFHPMGZUQRNJEW-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(=CS1)C=1C=CC=CC1)C(=O)OC)C(CC#N)=O |