![1-(1-Tosylpyrrolo[2,3-B]pyridin-3-yl)ethanone](/api/spectrum/L0Rn22NM0KT/structure.png?h=300&w=458 "1-(1-Tosylpyrrolo[2,3-B]pyridin-3-yl)ethanone")
| SpectraBase Compound ID | 27GCkI2GOjA |
|---|---|
| InChI | InChI=1S/C16H14N2O3S/c1-11-5-7-13(8-6-11)22(20,21)18-10-15(12(2)19)14-4-3-9-17-16(14)18/h3-10H,1-2H3 |
| InChIKey | IZDJVKWDKOLGAV-UHFFFAOYSA-N |
| Mol Weight | 314.36 g/mol |
| Molecular Formula | C16H14N2O3S |
| Exact Mass | 314.072513 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 | L0Rn22NM0KT |
|---|---|
| Name | 1-(1-Tosylpyrrolo[2,3-B]pyridin-3-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.072513490 u |
| Formula | C16H14N2O3S |
| InChI | InChI=1S/C16H14N2O3S/c1-11-5-7-13(8-6-11)22(20,21)18-10-15(12(2)19)14-4-3-9-17-16(14)18/h3-10H,1-2H3 |
| InChIKey | IZDJVKWDKOLGAV-UHFFFAOYSA-N |
| Molecular Weight | 314.359 g/mol |
| SMILES | C=1N(C=2N=CC=CC2C1C(=O)C)S(=O)(=O)C=1C=CC(C)=CC1 |