![Ethanone, 2-[(1-methyl-1H-pyrrol-2-yl)thio]-1-phenyl-](/api/spectrum/JwfZNXyVvPi/structure.png?h=300&w=458 "Ethanone, 2-[(1-methyl-1H-pyrrol-2-yl)thio]-1-phenyl-")
| SpectraBase Compound ID | 2r88vqwt3IJ |
|---|---|
| InChI | InChI=1S/C13H13NOS/c1-14-9-5-8-13(14)16-10-12(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3 |
| InChIKey | NCCSGIQGAACOCI-UHFFFAOYSA-N |
| Mol Weight | 231.31 g/mol |
| Molecular Formula | C13H13NOS |
| Exact Mass | 231.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwfZNXyVvPi |
|---|---|
| Name | Ethanone, 2-[(1-methyl-1H-pyrrol-2-yl)thio]-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.071785216 u |
| Formula | C13H13NOS |
| InChI | InChI=1S/C13H13NOS/c1-14-9-5-8-13(14)16-10-12(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3 |
| InChIKey | NCCSGIQGAACOCI-UHFFFAOYSA-N |
| Molecular Weight | 231.313 g/mol |
| SMILES | C=1(N(C=CC1)C)SCC(=O)C=1C=CC=CC1 |