| SpectraBase Compound ID | LHiF5qATE0I |
|---|---|
| InChI | InChI=1S/C12H11NO2/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-2,4-5,7-8H,3,6H2,(H,14,15)/b8-4+ |
| InChIKey | RWQOOIMZDPUKQY-XBXARRHUSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hbfaj1PC8H4 |
|---|---|
| Name | (E)-5-(2-Cyanophenyl)pent-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-2,4-5,7-8H,3,6H2,(H,14,15)/b8-4+ |
| InChIKey | RWQOOIMZDPUKQY-XBXARRHUSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C(#N)C=1C(CC\C=C\C(=O)O)=CC=CC1 |