| SpectraBase Compound ID | CEMuobOF5E8 |
|---|---|
| InChI | InChI=1S/C14H9N3O4S/c18-13(11-6-7-12(21-11)17(19)20)16-14-15-10(8-22-14)9-4-2-1-3-5-9/h1-8H,(H,15,16,18) |
| InChIKey | DOSOOHKIXLZMSP-UHFFFAOYSA-N |
| Mol Weight | 315.3 g/mol |
| Molecular Formula | C14H9N3O4S |
| Exact Mass | 315.031377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsMEw736511 |
|---|---|
| Name | Furan-2-carboxamide, 5-nitro-N-(4-phenylthiazol-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.031376952 u |
| Formula | C14H9N3O4S |
| InChI | InChI=1S/C14H9N3O4S/c18-13(11-6-7-12(21-11)17(19)20)16-14-15-10(8-22-14)9-4-2-1-3-5-9/h1-8H,(H,15,16,18) |
| InChIKey | DOSOOHKIXLZMSP-UHFFFAOYSA-N |
| Molecular Weight | 315.303 g/mol |
| SMILES | C=1(N(=O)=O)OC(C(NC2=NC(C3=CC=CC=C3)=CS2)=O)=CC1 |