| SpectraBase Compound ID | IduRB5cMNse |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16) |
| InChIKey | KNRXWTJWFLAIHI-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 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 | 1cRcrRLT2zh |
|---|---|
| Name | 2-(2-Oxohexyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16) |
| InChIKey | KNRXWTJWFLAIHI-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C=1C=C(C(C(=O)O)=CC1)CC(CCCC)=O |