| SpectraBase Compound ID | BWdeAUa1ZxR |
|---|---|
| InChI | InChI=1S/C16H19NO/c1-13-11-16(12-18)14(2)17(13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3 |
| InChIKey | OTPYJLGMYKETDC-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C16H19NO |
| Exact Mass | 241.146664 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 | JJq92YwjDEX |
|---|---|
| Name | 1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(3-phenylpropyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.146664235 u |
| Formula | C16H19NO |
| InChI | InChI=1S/C16H19NO/c1-13-11-16(12-18)14(2)17(13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3 |
| InChIKey | OTPYJLGMYKETDC-UHFFFAOYSA-N |
| Molecular Weight | 241.334 g/mol |
| SMILES | C1=CC=C(CCCN2C(=C(C=O)C=C2C)C)C=C1 |