| SpectraBase Compound ID | 2QTE5Brwy7i |
|---|---|
| InChI | InChI=1S/C11H9NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-9H |
| InChIKey | LXEQKKWJDGVPRW-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C11H9NO |
| Exact Mass | 171.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ht94RRqZQtK |
|---|---|
| Name | 1-Phenyl-1H-pyrrole-2-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.068413913 u |
| Formula | C11H9NO |
| InChI | InChI=1S/C11H9NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-9H |
| InChIKey | LXEQKKWJDGVPRW-UHFFFAOYSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C=1(N(C=CC1)C1=CC=CC=C1)C=O |