![1-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-1-propanone](/api/spectrum/EweqAsGdAnC/structure.png?h=300&w=458 "1-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-1-propanone")
| SpectraBase Compound ID | FsjpUVNiIzk |
|---|---|
| InChI | InChI=1S/C18H17NO3S/c1-3-18(20)16-12-19(17-7-5-4-6-15(16)17)23(21,22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3 |
| InChIKey | ADQSRWGKDICBAF-UHFFFAOYSA-N |
| Mol Weight | 327.4 g/mol |
| Molecular Formula | C18H17NO3S |
| Exact Mass | 327.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EweqAsGdAnC |
|---|---|
| Name | 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.092914582 u |
| Formula | C18H17NO3S |
| InChI | InChI=1S/C18H17NO3S/c1-3-18(20)16-12-19(17-7-5-4-6-15(16)17)23(21,22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3 |
| InChIKey | ADQSRWGKDICBAF-UHFFFAOYSA-N |
| Molecular Weight | 327.398 g/mol |
| SMILES | CCC(C1=CN(S(C2=CC=C(C=C2)C)(=O)=O)C=2C1=CC=CC2)=O |