| SpectraBase Compound ID | 46iJ797lq2H |
|---|---|
| InChI | InChI=1S/C13H9NOS3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H2,14,15) |
| InChIKey | XXBDRIBWWWRLOE-UHFFFAOYSA-N |
| Mol Weight | 291.4 g/mol |
| Molecular Formula | C13H9NOS3 |
| Exact Mass | 290.984627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7F7sofFWX0n |
|---|---|
| Name | 5-(5-Thiophen-2-yl-2-thiophenyl)-2-thiophenecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.984627435 u |
| Formula | C13H9NOS3 |
| InChI | InChI=1S/C13H9NOS3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H2,14,15) |
| InChIKey | XXBDRIBWWWRLOE-UHFFFAOYSA-N |
| SMILES | C=1(SC(=CC1)C(=O)N)C=1SC(C=2SC=CC2)=CC1 |