| SpectraBase Compound ID | ys2LA9CK2o |
|---|---|
| InChI | InChI=1S/C12H14O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | VZQPTDYLIIYDTH-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10hGKaoQcJa |
|---|---|
| Name | 5-Hydroxy-6-phenylhexanoic acid, D-lactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | VZQPTDYLIIYDTH-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1=C(CC2CCCC(O2)=O)C=CC=C1 |