| SpectraBase Compound ID | 1BuDgrceO5E |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-3-4-9(14)5-8-6-10(18-2)7-11(15)12(8)13(16)17/h6-7,15H,3-5H2,1-2H3,(H,16,17) |
| InChIKey | FAAYWDIYAYMYHC-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I3aNsyvb96d |
|---|---|
| Name | Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxopentyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-3-4-9(14)5-8-6-10(18-2)7-11(15)12(8)13(16)17/h6-7,15H,3-5H2,1-2H3,(H,16,17) |
| InChIKey | FAAYWDIYAYMYHC-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1(=C(C=C(C=C1O)OC)CC(=O)CCC)C(=O)O |