| SpectraBase Compound ID | 1pZ47HPn2ly |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12) |
| InChIKey | IOLZRTYKQAFXFB-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 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 | DTu79xANnML |
|---|---|
| Name | 5-Oxononanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12) |
| InChIKey | IOLZRTYKQAFXFB-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)(O)CCCC(=O)CCCC |