| SpectraBase Compound ID | 6pclAvONvPz |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2,(H,12,13)/b9-5+ |
| InChIKey | IATNQCGERGDVDN-WEVVVXLNSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mRKwXEJkGv |
|---|---|
| Name | 2-Pentenoic acid, 5-phenyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2,(H,12,13)/b9-5+ |
| InChIKey | IATNQCGERGDVDN-WEVVVXLNSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(O)(=O)\C=C\CCC1=CC=CC=C1 |