| SpectraBase Compound ID | 68YpetKJBTf |
|---|---|
| InChI | InChI=1S/C14H15NO3S/c1-3-14(16)12-8-9-15(10-12)19(17,18)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3 |
| InChIKey | RPYUZPGNZSVCGG-UHFFFAOYSA-N |
| Mol Weight | 277.34 g/mol |
| Molecular Formula | C14H15NO3S |
| Exact Mass | 277.077265 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 | 2ADijOOkN1c |
|---|---|
| Name | 1-(1-Tosylpyrrol-3-yl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.077264518 u |
| Formula | C14H15NO3S |
| InChI | InChI=1S/C14H15NO3S/c1-3-14(16)12-8-9-15(10-12)19(17,18)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3 |
| InChIKey | RPYUZPGNZSVCGG-UHFFFAOYSA-N |
| Molecular Weight | 277.338 g/mol |
| SMILES | C=1N(S(C=2C=CC(=CC2)C)(=O)=O)C=CC1C(=O)CC |