| SpectraBase Compound ID | 59XqhcOO8Cx |
|---|---|
| InChI | InChI=1S/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2 |
| InChIKey | OVVRQDDFAJNUGP-UHFFFAOYSA-N |
| Mol Weight | 218.27 g/mol |
| Molecular Formula | C11H10N2OS |
| Exact Mass | 218.051384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LsANUhCKyKj |
|---|---|
| Name | Methanone, (3,4-diaminophenyl)-2-thienyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.051384123 u |
| Formula | C11H10N2OS |
| InChI | InChI=1S/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2 |
| InChIKey | OVVRQDDFAJNUGP-UHFFFAOYSA-N |
| Molecular Weight | 218.274 g/mol |
| SMILES | C(=O)(C=1SC=CC1)C1=CC(N)=C(N)C=C1 |