| SpectraBase Compound ID | 2epmIhfsjra |
|---|---|
| InChI | InChI=1S/C16H16N2O/c1-13-7-9-14(10-8-13)5-4-12-18(2)16(19)15-6-3-11-17-15/h3,6-11,17H,12H2,1-2H3 |
| InChIKey | PMKCGDMHCSTCSM-UHFFFAOYSA-N |
| Mol Weight | 252.32 g/mol |
| Molecular Formula | C16H16N2O |
| Exact Mass | 252.126263 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 | Hnm3xKjtW1C |
|---|---|
| Name | 1H-Pyrrole-2-carboxylic acid methyl(3-p-tolyl-prop-2-ynyl)amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.126263142 u |
| Formula | C16H16N2O |
| InChI | InChI=1S/C16H16N2O/c1-13-7-9-14(10-8-13)5-4-12-18(2)16(19)15-6-3-11-17-15/h3,6-11,17H,12H2,1-2H3 |
| InChIKey | PMKCGDMHCSTCSM-UHFFFAOYSA-N |
| Molecular Weight | 252.317 g/mol |
| SMILES | C(C=1NC=CC1)(N(CC#CC=1C=CC(=CC1)C)C)=O |