| SpectraBase Compound ID | izqz0EdU3n |
|---|---|
| InChI | InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-9-8-16-11(12-9)13-5-3-4-6-13/h3-6,8H,2,7H2,1H3 |
| InChIKey | JCNFRODXNBBDLV-UHFFFAOYSA-N |
| Mol Weight | 236.29 g/mol |
| Molecular Formula | C11H12N2O2S |
| Exact Mass | 236.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0bfJ9eesPP |
|---|---|
| Name | Methyl 2-(1,3-thiazol-4-yl)-2-(1H-pyrrol-1-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.061948806 u |
| Formula | C11H12N2O2S |
| InChI | InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-9-8-16-11(12-9)13-5-3-4-6-13/h3-6,8H,2,7H2,1H3 |
| InChIKey | JCNFRODXNBBDLV-UHFFFAOYSA-N |
| Molecular Weight | 236.289 g/mol |
| SMILES | CCOC(=O)CC=1N=C(N2C=CC=C2)SC1 |