| SpectraBase Compound ID | 7gE2J9M5Wan |
|---|---|
| InChI | InChI=1S/C16H14N2O2S/c1-10-4-6-13(7-5-10)15-9-21-16(14(15)8-17)18(11(2)19)12(3)20/h4-7,9H,1-3H3 |
| InChIKey | HEHIWLULRPXNDU-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H14N2O2S |
| Exact Mass | 298.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Sr4J3pSWOw |
|---|---|
| Name | 2-Amino-4-(4-methylphenyl)-3-thiophenecarbonitrile, N,N-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.077598871 u |
| Formula | C16H14N2O2S |
| InChI | InChI=1S/C16H14N2O2S/c1-10-4-6-13(7-5-10)15-9-21-16(14(15)8-17)18(11(2)19)12(3)20/h4-7,9H,1-3H3 |
| InChIKey | HEHIWLULRPXNDU-UHFFFAOYSA-N |
| SMILES | C=1(SC=C(C1C#N)C1=CC=C(C=C1)C)N(C(C)=O)C(C)=O |