| SpectraBase Compound ID | ED3WuFcI2B8 |
|---|---|
| InChI | InChI=1S/C12H14O3/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10/h1-7,11,13H,8-9H2,(H,14,15)/b7-4+ |
| InChIKey | JDDFEAIIJCAOTP-QPJJXVBHSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 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 | 1FShom4EYJ |
|---|---|
| Name | (E)-3-Hydroxy-6-phenylhex-5-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10/h1-7,11,13H,8-9H2,(H,14,15)/b7-4+ |
| InChIKey | JDDFEAIIJCAOTP-QPJJXVBHSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(CC(C\C=C\C=1C=CC=CC1)O)(=O)O |